4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C14H26F2N2O2 — CID 107479267

IUPAC4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)N(CCO)CC(F)F)C1(C)C
InChIInChI=1S/C14H26F2N2O2/c1-9-11(17)5-4-10(14(9,2)3)13(20)18(6-7-19)8-12(15)16/h9-12,19H,4-8,17H2,1-3H3
InChIKeyMKPXNTGDVNLUBL-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.47
Rot. Bonds5

About 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 107479267) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID107479267
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Name4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)N(CCO)CC(F)F)C1(C)C
InChIInChI=1S/C14H26F2N2O2/c1-9-11(17)5-4-10(14(9,2)3)13(20)18(6-7-19)8-12(15)16/h9-12,19H,4-8,17H2,1-3H3
InChIKeyMKPXNTGDVNLUBL-UHFFFAOYSA-N
XLogP1.47
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 107479267) is 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)N(CCO)CC(F)F)C1(C)C.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is MKPXNTGDVNLUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-9-11(17)5-4-10(14(9,2)3)13(20)18(6-7-19)8-12(15)16/h9-12,19H,4-8,17H2,1-3H3.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 292.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107479267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).