5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide

C13H24F2N2O2 — CID 107487309

IUPAC5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(CCO)CC(F)F)CC1N
InChIInChI=1S/C13H24F2N2O2/c1-8-5-9(2)11(16)6-10(8)13(19)17(3-4-18)7-12(14)15/h8-12,18H,3-7,16H2,1-2H3
InChIKeyIWQLYQBTSJQHSP-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.08
Rot. Bonds5

About 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 107487309) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID107487309
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC Name5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(CCO)CC(F)F)CC1N
InChIInChI=1S/C13H24F2N2O2/c1-8-5-9(2)11(16)6-10(8)13(19)17(3-4-18)7-12(14)15/h8-12,18H,3-7,16H2,1-2H3
InChIKeyIWQLYQBTSJQHSP-UHFFFAOYSA-N
XLogP1.08
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.08
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)-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide (CID 107487309) is 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide is CC1CC(C)C(C(=O)N(CCO)CC(F)F)CC1N.
What is the InChIKey of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is IWQLYQBTSJQHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-8-5-9(2)11(16)6-10(8)13(19)17(3-4-18)7-12(14)15/h8-12,18H,3-7,16H2,1-2H3.
What are the key properties of 5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.08, 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)-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107487309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).