5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide

C12H22F2N2O2 — CID 107487301

IUPAC5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H22F2N2O2/c1-8-2-3-9(15)6-10(8)12(18)16(4-5-17)7-11(13)14/h8-11,17H,2-7,15H2,1H3
InChIKeyVNCZJYFWRYHAHS-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.84
Rot. Bonds5

About 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide

5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide (PubChem CID 107487301) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide
PubChem CID107487301
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H22F2N2O2/c1-8-2-3-9(15)6-10(8)12(18)16(4-5-17)7-11(13)14/h8-11,17H,2-7,15H2,1H3
InChIKeyVNCZJYFWRYHAHS-UHFFFAOYSA-N
XLogP0.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide (CID 107487301) is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide is CC1CCC(N)CC1C(=O)N(CCO)CC(F)F.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide?
The InChIKey is VNCZJYFWRYHAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-8-2-3-9(15)6-10(8)12(18)16(4-5-17)7-11(13)14/h8-11,17H,2-7,15H2,1H3.
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide?
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 107487301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).