2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline

C119H165F8N5O13 — CID 159783437

IUPAC2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline
SMILESCC(C)(C)c1ccc(F)c(OC2CCOCC2)c1.CC(C)(C)c1ccc(F)c(OCC(=O)O)c1.CC(C)(C)c1ccc(F)c(OCC2CCNCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCOCC2)c1.CC(C)(C)c1ccc(F)c(OCN2CCCC2=O)c1.CC(C)(C)c1ccc2c(F)ccnc2c1.CCCN(C)C(=O)Oc1cc(C(C)(C)C)ccc1F.CN1CCC(COc2cc(C(C)(C)C)ccc2F)CC1
InChIInChI=1S/C17H26FNO.C16H24FNO.C16H23FO2.C15H20FNO2.C15H22FNO2.C15H21FO2.C13H14FN.C12H15FO3/c1-17(2,3)14-5-6-15(18)16(11-14)20-12-13-7-9-19(4)10-8-13;2*1-16(2,3)13-4-5-14(17)15(10-13)19-11-12-6-8-18-9-7-12;1-15(2,3)11-6-7-12(16)13(9-11)19-10-17-8-4-5-14(17)18;1-6-9-17(5)14(18)19-13-10-11(15(2,3)4)7-8-12(13)16;1-15(2,3)11-4-5-13(16)14(10-11)18-12-6-8-17-9-7-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-12(2,3)8-4-5-9(13)10(6-8)16-7-11(14)15/h5-6,11,13H,7-10,12H2,1-4H3;4-5,10,12,18H,6-9,11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3;6-7,9H,4-5,8,10H2,1-3H3;7-8,10H,6,9H2,1-5H3;4-5,10,12H,6-9H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3,(H,14,15)
InChIKeyNHQNHLMTMLYWKQ-UHFFFAOYSA-N
MW2025.63 g/mol
LogP28.26
Rot. Bonds20

About 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline

2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline (PubChem CID 159783437) has the molecular formula C119H165F8N5O13 and a molecular weight of 2025.63 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline.

Molecular Properties

Compound Name2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline
PubChem CID159783437
Molecular FormulaC119H165F8N5O13
Molecular Weight2025.63 g/mol
Exact Mass2024.23
IUPAC Name2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline
SMILESCC(C)(C)c1ccc(F)c(OC2CCOCC2)c1.CC(C)(C)c1ccc(F)c(OCC(=O)O)c1.CC(C)(C)c1ccc(F)c(OCC2CCNCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCOCC2)c1.CC(C)(C)c1ccc(F)c(OCN2CCCC2=O)c1.CC(C)(C)c1ccc2c(F)ccnc2c1.CCCN(C)C(=O)Oc1cc(C(C)(C)C)ccc1F.CN1CCC(COc2cc(C(C)(C)C)ccc2F)CC1
InChIInChI=1S/C17H26FNO.C16H24FNO.C16H23FO2.C15H20FNO2.C15H22FNO2.C15H21FO2.C13H14FN.C12H15FO3/c1-17(2,3)14-5-6-15(18)16(11-14)20-12-13-7-9-19(4)10-8-13;2*1-16(2,3)13-4-5-14(17)15(10-13)19-11-12-6-8-18-9-7-12;1-15(2,3)11-6-7-12(16)13(9-11)19-10-17-8-4-5-14(17)18;1-6-9-17(5)14(18)19-13-10-11(15(2,3)4)7-8-12(13)16;1-15(2,3)11-4-5-13(16)14(10-11)18-12-6-8-17-9-7-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-12(2,3)8-4-5-9(13)10(6-8)16-7-11(14)15/h5-6,11,13H,7-10,12H2,1-4H3;4-5,10,12,18H,6-9,11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3;6-7,9H,4-5,8,10H2,1-3H3;7-8,10H,6,9H2,1-5H3;4-5,10,12H,6-9H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3,(H,14,15)
InChIKeyNHQNHLMTMLYWKQ-UHFFFAOYSA-N
XLogP28.26
TPSA189.15 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002025.63
LogP ≤ 528.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline with MolForge

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Related Compounds

1-(6-Tert-butyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone;4-tert-butyl-2-fluoro-1-(2-methoxyethoxy)benzene;1-tert-butyl-3-methoxybenzene;5-tert-butyl-2-(2-methoxyethoxy)pyridine;2-(3-tert-butylphenoxy)ethanol;2-(3-tert-butylphenoxy)-1-morpholin-4-ylethanone;1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one;5-tert-butyl-2-propan-2-yloxypyridine
CID 157403126
2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;N-[(5-tert-butyl-2-fluorophenoxy)methyl]-N-methylpropan-1-amine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;7-tert-butyl-4-fluoroquinoline
CID 160317807
4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;5-tert-butyl-1-(cyclopropylmethyl)pyridin-2-one;1-tert-butyl-3-(difluoromethoxy)benzene;5-tert-butyl-1-(difluoromethyl)pyridin-2-one;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline
CID 161006394

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline?
The IUPAC name of 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline (CID 159783437) is 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline.
What is the SMILES notation for 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline?
The canonical SMILES for 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline is CC(C)(C)c1ccc(F)c(OC2CCOCC2)c1.CC(C)(C)c1ccc(F)c(OCC(=O)O)c1.CC(C)(C)c1ccc(F)c(OCC2CCNCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCOCC2)c1.CC(C)(C)c1ccc(F)c(OCN2CCCC2=O)c1.CC(C)(C)c1ccc2c(F)ccnc2c1.CCCN(C)C(=O)Oc1cc(C(C)(C)C)ccc1F.CN1CCC(COc2cc(C(C)(C)C)ccc2F)CC1.
What is the InChIKey of 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline?
The InChIKey is NHQNHLMTMLYWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO.C16H24FNO.C16H23FO2.C15H20FNO2.C15H22FNO2.C15H21FO2.C13H14FN.C12H15FO3/c1-17(2,3)14-5-6-15(18)16(11-14)20-12-13-7-9-19(4)10-8-13;2*1-16(2,3)13-4-5-14(17)15(10-13)19-11-12-6-8-18-9-7-12;1-15(2,3)11-6-7-12(16)13(9-11)19-10-17-8-4-5-14(17)18;1-6-9-17(5)14(18)19-13-10-11(15(2,3)4)7-8-12(13)16;1-15(2,3)11-4-5-13(16)14(10-11)18-12-6-8-17-9-7-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-12(2,3)8-4-5-9(13)10(6-8)16-7-11(14)15/h5-6,11,13H,7-10,12H2,1-4H3;4-5,10,12,18H,6-9,11H2,1-3H3;4-5,10,12H,6-9,11H2,1-3H3;6-7,9H,4-5,8,10H2,1-3H3;7-8,10H,6,9H2,1-5H3;4-5,10,12H,6-9H2,1-3H3;4-8H,1-3H3;4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline?
2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline has a molecular weight of 2025.63 g/mol, XLogP of 28.26, 20 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-fluorophenoxy)acetic acid;4-[(5-tert-butyl-2-fluorophenoxy)methyl]-1-methylpiperidine;4-[(5-tert-butyl-2-fluorophenoxy)methyl]oxane;4-[(5-tert-butyl-2-fluorophenoxy)methyl]piperidine;1-[(5-tert-butyl-2-fluorophenoxy)methyl]pyrrolidin-2-one;4-(5-tert-butyl-2-fluorophenoxy)oxane;(5-tert-butyl-2-fluorophenyl) N-methyl-N-propylcarbamate;7-tert-butyl-4-fluoroquinoline is sourced from PubChem (CID 159783437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).