3,3-difluoro-1-hydroxycyclohexane-1-carboxamide

C7H11F2NO2 — CID 118555959

IUPAC3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
SMILESNC(=O)C1(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)
InChIKeyWIDDBWHEIOCNQT-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.41
Rot. Bonds1

About 3,3-difluoro-1-hydroxycyclohexane-1-carboxamide

3,3-difluoro-1-hydroxycyclohexane-1-carboxamide (PubChem CID 118555959) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3,3-difluoro-1-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
PubChem CID118555959
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name3,3-difluoro-1-hydroxycyclohexane-1-carboxamide
SMILESNC(=O)C1(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)
InChIKeyWIDDBWHEIOCNQT-UHFFFAOYSA-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 3,3-difluoro-1-hydroxycyclohexane-1-carboxamide?
The IUPAC name of 3,3-difluoro-1-hydroxycyclohexane-1-carboxamide (CID 118555959) is 3,3-difluoro-1-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-1-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-1-hydroxycyclohexane-1-carboxamide is NC(=O)C1(O)CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-hydroxycyclohexane-1-carboxamide?
The InChIKey is WIDDBWHEIOCNQT-UHFFFAOYSA-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).
What are the key properties of 3,3-difluoro-1-hydroxycyclohexane-1-carboxamide?
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 3,3-difluoro-1-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 118555959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).