N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide

C9H12F5NO — CID 88948298

IUPACN-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCC(F)(F)CC1
InChIInChI=1S/C9H12F5NO/c1-15(7(16)9(12,13)14)6-2-4-8(10,11)5-3-6/h6H,2-5H2,1H3
InChIKeyJAEFSGDIPYHAQO-UHFFFAOYSA-N
MW245.19 g/mol
LogP2.59
Rot. Bonds1

About N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide

N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 88948298) has the molecular formula C9H12F5NO and a molecular weight of 245.19 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID88948298
Molecular FormulaC9H12F5NO
Molecular Weight245.19 g/mol
Exact Mass245.08
IUPAC NameN-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCC(F)(F)CC1
InChIInChI=1S/C9H12F5NO/c1-15(7(16)9(12,13)14)6-2-4-8(10,11)5-3-6/h6H,2-5H2,1H3
InChIKeyJAEFSGDIPYHAQO-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide (CID 88948298) is N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)C1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is JAEFSGDIPYHAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO/c1-15(7(16)9(12,13)14)6-2-4-8(10,11)5-3-6/h6H,2-5H2,1H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide?
N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 245.19 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 88948298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).