5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide

C12H22F2N2O2 — CID 114129246

IUPAC5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)NCCOCC(F)F
InChIInChI=1S/C12H22F2N2O2/c1-8-2-3-9(15)6-10(8)12(17)16-4-5-18-7-11(13)14/h8-11H,2-7,15H2,1H3,(H,16,17)
InChIKeyJFVFGOBIYNKJHC-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.15
Rot. Bonds6

About 5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide

5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide (PubChem CID 114129246) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide
PubChem CID114129246
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)NCCOCC(F)F
InChIInChI=1S/C12H22F2N2O2/c1-8-2-3-9(15)6-10(8)12(17)16-4-5-18-7-11(13)14/h8-11H,2-7,15H2,1H3,(H,16,17)
InChIKeyJFVFGOBIYNKJHC-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide (CID 114129246) is 5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide is CC1CCC(N)CC1C(=O)NCCOCC(F)F.
What is the InChIKey of 5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide?
The InChIKey is JFVFGOBIYNKJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-8-2-3-9(15)6-10(8)12(17)16-4-5-18-7-11(13)14/h8-11H,2-7,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide?
5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2,2-difluoroethoxy)ethyl]-2-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 114129246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).