N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C11H16F3NO — CID 115583697

IUPACN-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-2-7-15-10(16)8-5-3-4-6-9(8)11(12,13)14/h2,8-9H,1,3-7H2,(H,15,16)
InChIKeyDYYHTXLSDDLGDB-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.66
Rot. Bonds3

About N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115583697) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115583697
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC NameN-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-2-7-15-10(16)8-5-3-4-6-9(8)11(12,13)14/h2,8-9H,1,3-7H2,(H,15,16)
InChIKeyDYYHTXLSDDLGDB-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115583697) is N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is C=CCNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is DYYHTXLSDDLGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-7-15-10(16)8-5-3-4-6-9(8)11(12,13)14/h2,8-9H,1,3-7H2,(H,15,16).
What are the key properties of N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115583697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).