1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide

C11H18F2N2O2 — CID 130400775

IUPAC1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C11H18F2N2O2/c1-8(16)15-11(5-3-2-4-6-11)10(17)14-7-9(12)13/h9H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyLSHLPNAFZKEORJ-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.21
Rot. Bonds4

About 1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide

1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide (PubChem CID 130400775) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
PubChem CID130400775
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide
SMILESCC(=O)NC1(C(=O)NCC(F)F)CCCCC1
InChIInChI=1S/C11H18F2N2O2/c1-8(16)15-11(5-3-2-4-6-11)10(17)14-7-9(12)13/h9H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyLSHLPNAFZKEORJ-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide (CID 130400775) is 1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide is CC(=O)NC1(C(=O)NCC(F)F)CCCCC1.
What is the InChIKey of 1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is LSHLPNAFZKEORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c1-8(16)15-11(5-3-2-4-6-11)10(17)14-7-9(12)13/h9H,2-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide?
1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 248.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-(2,2-difluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 130400775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).