3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

C9H15F2NO2 — CID 130487789

IUPAC3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCO)C1CCCC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c10-9(11)3-1-2-7(6-9)8(14)12-4-5-13/h7,13H,1-6H2,(H,12,14)
InChIKeyQCVCQBWKUUSBKB-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.92
Rot. Bonds3

About 3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide

3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (PubChem CID 130487789) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
PubChem CID130487789
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
SMILESO=C(NCCO)C1CCCC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c10-9(11)3-1-2-7(6-9)8(14)12-4-5-13/h7,13H,1-6H2,(H,12,14)
InChIKeyQCVCQBWKUUSBKB-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
2-chloro-1-(3,3-difluorocyclohexyl)ethanone
CID 130487880
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-cyano-3,3-difluorocyclohexane-1-carboxamide
CID 126974588
N-ethoxy-3,3-difluorocyclohexane-1-carboxamide
CID 130487784
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693
N-(6-hydroxyhexyl)cyclopentanecarboxamide
CID 70973936
N-(4-amino-2-ethylbutyl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226716
(1S)-N-buta-1,3-dien-2-yl-3,3-difluorocyclohexane-1-carboxamide
CID 177192865
3,3-difluoro-N-[2-(2-methoxyethylamino)ethyl]cyclopentane-1-carboxamide
CID 114226519
3,3-difluoro-N-[(1S,2S)-2-hydroxycyclohexyl]cyclohexane-1-carboxamide
CID 114226447
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226310

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide (CID 130487789) is 3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is O=C(NCCO)C1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
The InChIKey is QCVCQBWKUUSBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-9(11)3-1-2-7(6-9)8(14)12-4-5-13/h7,13H,1-6H2,(H,12,14).
What are the key properties of 3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide?
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide has a molecular weight of 207.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 130487789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).