3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide

C12H22F2N2O2 — CID 119768405

IUPAC3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCOCCN(CC(F)F)C(=O)C1CCCC(N)C1
InChIInChI=1S/C12H22F2N2O2/c1-18-6-5-16(8-11(13)14)12(17)9-3-2-4-10(15)7-9/h9-11H,2-8,15H2,1H3
InChIKeyJEAOVQZHYMVZEJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.24
Rot. Bonds6

About 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide

3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide (PubChem CID 119768405) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
PubChem CID119768405
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCOCCN(CC(F)F)C(=O)C1CCCC(N)C1
InChIInChI=1S/C12H22F2N2O2/c1-18-6-5-16(8-11(13)14)12(17)9-3-2-4-10(15)7-9/h9-11H,2-8,15H2,1H3
InChIKeyJEAOVQZHYMVZEJ-UHFFFAOYSA-N
XLogP1.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide (CID 119768405) is 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide is COCCN(CC(F)F)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is JEAOVQZHYMVZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-18-6-5-16(8-11(13)14)12(17)9-3-2-4-10(15)7-9/h9-11H,2-8,15H2,1H3.
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119768405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).