N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide

C10H14F3NO — CID 3323061

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC1=CCCCC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(15)14-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H,14,15)
InChIKeyDVHVGNPDUCIWTJ-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.56
Rot. Bonds3

About N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 3323061) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID3323061
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCCC1=CCCCC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c11-10(12,13)9(15)14-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H,14,15)
InChIKeyDVHVGNPDUCIWTJ-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.56
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-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide (CID 3323061) is N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide is O=C(NCCC1=CCCCC1)C(F)(F)F.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is DVHVGNPDUCIWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)9(15)14-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H,14,15).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 221.22 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 3323061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).