(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide

C7H11F2NO2 — CID 118555978

IUPAC(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
SMILESNC(=O)[C@]1(O)CCCC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c8-7(9)3-1-2-6(12,4-7)5(10)11/h12H,1-4H2,(H2,10,11)/t6-/m0/s1
InChIKeyWIDDBWHEIOCNQT-LURJTMIESA-N
MW179.17 g/mol
LogP0.41
Rot. Bonds1

About (1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide

(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide (PubChem CID 118555978) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
PubChem CID118555978
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
SMILESNC(=O)[C@]1(O)CCCC(F)(F)C1
InChIInChI=1S/C7H11F2NO2/c8-7(9)3-1-2-6(12,4-7)5(10)11/h12H,1-4H2,(H2,10,11)/t6-/m0/s1
InChIKeyWIDDBWHEIOCNQT-LURJTMIESA-N
XLogP0.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide?
The IUPAC name of (1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide (CID 118555978) is (1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for (1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide is NC(=O)[C@]1(O)CCCC(F)(F)C1.
What is the InChIKey of (1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide?
The InChIKey is WIDDBWHEIOCNQT-LURJTMIESA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9)3-1-2-6(12,4-7)5(10)11/h12H,1-4H2,(H2,10,11)/t6-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide?
(1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide has a molecular weight of 179.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 118555978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).