N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide

C9H15F2NO2 — CID 126795290

IUPACN-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCC(F)F)C1CCCC(O)C1
InChIInChI=1S/C9H15F2NO2/c10-8(11)5-12-9(14)6-2-1-3-7(13)4-6/h6-8,13H,1-5H2,(H,12,14)
InChIKeyQPCALPWKPCHWRS-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.92
Rot. Bonds3

About N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide

N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide (PubChem CID 126795290) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide
PubChem CID126795290
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC NameN-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCC(F)F)C1CCCC(O)C1
InChIInChI=1S/C9H15F2NO2/c10-8(11)5-12-9(14)6-2-1-3-7(13)4-6/h6-8,13H,1-5H2,(H,12,14)
InChIKeyQPCALPWKPCHWRS-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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide (CID 126795290) is N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide is O=C(NCC(F)F)C1CCCC(O)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide?
The InChIKey is QPCALPWKPCHWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-8(11)5-12-9(14)6-2-1-3-7(13)4-6/h6-8,13H,1-5H2,(H,12,14).
What are the key properties of N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide?
N-(2,2-difluoroethyl)-3-hydroxycyclohexane-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 N-(2,2-difluoroethyl)-3-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 126795290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).