(4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate

C18H25FO3 — CID 2426701

IUPAC(4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate
SMILESCC(C)(C)C1CCC(OC(=O)COc2ccccc2F)CC1
InChIInChI=1S/C18H25FO3/c1-18(2,3)13-8-10-14(11-9-13)22-17(20)12-21-16-7-5-4-6-15(16)19/h4-7,13-14H,8-12H2,1-3H3
InChIKeyPDCGAGXGYRHPMG-UHFFFAOYSA-N
MW308.39 g/mol
LogP4.35
Rot. Bonds4

About (4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate

(4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate (PubChem CID 2426701) has the molecular formula C18H25FO3 and a molecular weight of 308.39 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate
PubChem CID2426701
Molecular FormulaC18H25FO3
Molecular Weight308.39 g/mol
Exact Mass308.18
IUPAC Name(4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate
SMILESCC(C)(C)C1CCC(OC(=O)COc2ccccc2F)CC1
InChIInChI=1S/C18H25FO3/c1-18(2,3)13-8-10-14(11-9-13)22-17(20)12-21-16-7-5-4-6-15(16)19/h4-7,13-14H,8-12H2,1-3H3
InChIKeyPDCGAGXGYRHPMG-UHFFFAOYSA-N
XLogP4.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
methyl 2-amino-2-cyclopropyl-3-(2-fluorophenoxy)propanoate
CID 63919008
(1-amino-1-phenylethyl) 2-(2-fluorophenoxy)acetate
CID 70557740
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 23855632
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
1-O-cyclopentyl 4-O-(2-fluorophenyl) butanedioate
CID 91705018
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
N-ethoxy-2-(2-fluorophenoxy)acetamide
CID 60712120
(4-tert-butylcyclohexyl) 3-phenylprop-2-enoate
CID 154628422
N-[(3S)-1-(3,3-dimethylbutyl)piperidin-3-yl]-2-(2-fluorophenoxy)acetamide
CID 45115607
[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 55398107
2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid
CID 43655608

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate?
The IUPAC name of (4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate (CID 2426701) is (4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for (4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate?
The canonical SMILES for (4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate is CC(C)(C)C1CCC(OC(=O)COc2ccccc2F)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate?
The InChIKey is PDCGAGXGYRHPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FO3/c1-18(2,3)13-8-10-14(11-9-13)22-17(20)12-21-16-7-5-4-6-15(16)19/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate?
(4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate has a molecular weight of 308.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 2426701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).