3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide

C10H15F3N2O2 — CID 136527089

IUPAC3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)5-8(16)15-7-3-1-2-6(4-7)9(14)17/h6-7H,1-5H2,(H2,14,17)(H,15,16)
InChIKeyLHTLXBZBZNLRTL-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.10
Rot. Bonds3

About 3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide

3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide (PubChem CID 136527089) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide
PubChem CID136527089
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)5-8(16)15-7-3-1-2-6(4-7)9(14)17/h6-7H,1-5H2,(H2,14,17)(H,15,16)
InChIKeyLHTLXBZBZNLRTL-UHFFFAOYSA-N
XLogP1.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methoxyacetyl)amino]cyclohexane-1-carboxamide
CID 175888912
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
3-(3-hydroxybutanoylamino)cyclohexane-1-carboxamide
CID 168729925
tert-butyl N-[3-(3,3,3-trifluoropropanoylamino)cyclohexyl]carbamate
CID 86804554
3,3,3-trifluoro-N-[4-(methylamino)cyclohexyl]propanamide
CID 43653225
N-[4-(ethylamino)cyclohexyl]-3,3,3-trifluoropropanamide
CID 43653338
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103932793
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
3-(2-aminopentanoylamino)cyclohexane-1-carboxamide
CID 119309150

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide (CID 136527089) is 3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide is NC(=O)C1CCCC(NC(=O)CC(F)(F)F)C1.
What is the InChIKey of 3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide?
The InChIKey is LHTLXBZBZNLRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)5-8(16)15-7-3-1-2-6(4-7)9(14)17/h6-7H,1-5H2,(H2,14,17)(H,15,16).
What are the key properties of 3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide?
3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide has a molecular weight of 252.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 136527089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).