3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide

C9H12F3NO2 — CID 43652766

IUPAC3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide
SMILESO=C1CCC(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)5-8(15)13-6-1-3-7(14)4-2-6/h6H,1-5H2,(H,13,15)
InChIKeyVPQGOSNGHGZNTH-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.57
Rot. Bonds2

About 3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide

3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide (PubChem CID 43652766) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide
PubChem CID43652766
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC Name3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide
SMILESO=C1CCC(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)5-8(15)13-6-1-3-7(14)4-2-6/h6H,1-5H2,(H,13,15)
InChIKeyVPQGOSNGHGZNTH-UHFFFAOYSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Oxocyclohexyl)acetamide
CID 538565
N-Cyclohexyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 1602640
N-Cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 3658277
N-Cyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 4363307
2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
CID 43652748
N-cyclohexyl-3,3,3-trifluoropropanamide
CID 45806629
Trifluorolevulinic acid cyclohexylamide
CID 129807159
3,3,3-trifluoro-N-(3-oxocyclohexyl)propanamide
CID 176434979
N-acetyl-aminocyclohexanone
CID 12217020
2-Methyl-N-(4-oxocyclohexyl)propanamide
CID 21533994
N-Cyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 548955
cis-1,4-Cyclohexanediamine, N,N'-bis(heptafluorobutyryl)
CID 3089857

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide (CID 43652766) is 3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide is O=C1CCC(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide?
The InChIKey is VPQGOSNGHGZNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)5-8(15)13-6-1-3-7(14)4-2-6/h6H,1-5H2,(H,13,15).
What are the key properties of 3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide?
3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide has a molecular weight of 223.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide is sourced from PubChem (CID 43652766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).