3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine

C18H37F2NO2 — CID 118907354

IUPAC3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine
SMILESCC(C)(C)OCCC(C)(C)OCC(C)(C)C(F)(F)C(C)(C)CN
InChIInChI=1S/C18H37F2NO2/c1-14(2,3)22-11-10-17(8,9)23-13-16(6,7)18(19,20)15(4,5)12-21/h10-13,21H2,1-9H3
InChIKeyHHSBKSZVTZVRMT-UHFFFAOYSA-N
MW337.50 g/mol
LogP4.63
Rot. Bonds9

About 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine

3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine (PubChem CID 118907354) has the molecular formula C18H37F2NO2 and a molecular weight of 337.50 g/mol. Its IUPAC name is 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine
PubChem CID118907354
Molecular FormulaC18H37F2NO2
Molecular Weight337.50 g/mol
Exact Mass337.28
IUPAC Name3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine
SMILESCC(C)(C)OCCC(C)(C)OCC(C)(C)C(F)(F)C(C)(C)CN
InChIInChI=1S/C18H37F2NO2/c1-14(2,3)22-11-10-17(8,9)23-13-16(6,7)18(19,20)15(4,5)12-21/h10-13,21H2,1-9H3
InChIKeyHHSBKSZVTZVRMT-UHFFFAOYSA-N
XLogP4.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine with MolForge

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Related Compounds

1-Azido-3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]oxypentane
CID 118907353
2,2-Dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62740828
2,2-Dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
CID 66276072
5-(2,2-Difluoroethoxy)-2,2-dimethylpentan-1-amine
CID 82004327
2,2-Dimethyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82789398
2,2-Dimethyl-5-(3,3,3-trifluoropropoxy)pentan-1-amine
CID 82955014
5-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-2,2-dimethylpentan-1-amine
CID 102721784
2,2,3,3-Tetramethyl-5-(2-methyl-4-propan-2-yloxybutan-2-yl)oxypentan-1-amine
CID 134378667
5-(3-Methoxy-3-methylbutoxy)-2,2-dimethylpentan-1-amine
CID 106665139

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine?
The IUPAC name of 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine (CID 118907354) is 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine.
What is the SMILES notation for 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine?
The canonical SMILES for 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine is CC(C)(C)OCCC(C)(C)OCC(C)(C)C(F)(F)C(C)(C)CN.
What is the InChIKey of 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine?
The InChIKey is HHSBKSZVTZVRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37F2NO2/c1-14(2,3)22-11-10-17(8,9)23-13-16(6,7)18(19,20)15(4,5)12-21/h10-13,21H2,1-9H3.
What are the key properties of 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine?
3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine has a molecular weight of 337.50 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2,4,4-tetramethyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypentan-1-amine is sourced from PubChem (CID 118907354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).