2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide

C10H14F3NO2 — CID 54403503

IUPAC2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide
SMILESO=C1CCC(CCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)9(16)14-6-5-7-1-3-8(15)4-2-7/h7H,1-6H2,(H,14,16)
InChIKeyVPBSAJINARAMSA-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.81
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide (PubChem CID 54403503) has the molecular formula C10H14F3NO2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide
PubChem CID54403503
Molecular FormulaC10H14F3NO2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide
SMILESO=C1CCC(CCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO2/c11-10(12,13)9(16)14-6-5-7-1-3-8(15)4-2-7/h7H,1-6H2,(H,14,16)
InChIKeyVPBSAJINARAMSA-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-((4-oxocyclohexyl)methyl)acetamide
CID 11412613
Acetamide, N-(cyclohexylmethyl)-2,2,2-trifluoro-
CID 10488619
Trifluoroacetyl caprolactam
CID 129868820
N-(4,4-dimethyl-7-oxooctyl)-2,2,2-trifluoroacetamide
CID 138974503
2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
CID 164679204
2,2-dimethyl-N-[(1R,4R)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
CID 176434988
N-(2-cyclohexyl-2-oxoethyl)-2,2,2-trifluoroacetamide
CID 177582111
2-cyclohexyl-N-(2-fluoroethyl)acetamide
CID 18360952
N-(2-cyclohexylethyl)-2,2,2-trifluoroacetamide
CID 20699941
2,2-difluoro-5-methyl-3-oxo-N-propylhexanamide
CID 23192887
5-(3,3,3-Trifluoropropyl)piperidine-2,4-dione
CID 25193828
N-(5-methyl-6-oxoheptyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 58571250

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide (CID 54403503) is 2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide is O=C1CCC(CCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide?
The InChIKey is VPBSAJINARAMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO2/c11-10(12,13)9(16)14-6-5-7-1-3-8(15)4-2-7/h7H,1-6H2,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide has a molecular weight of 237.22 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide is sourced from PubChem (CID 54403503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).