2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide

C9H12F3NO — CID 20522321

IUPAC2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide
SMILESCC(F)(C(=O)N(F)F)C1CC=CCC1
InChIInChI=1S/C9H12F3NO/c1-9(10,8(14)13(11)12)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
InChIKeyKUJRNJZXSUSXDZ-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.67
Rot. Bonds2

About 2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide

2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide (PubChem CID 20522321) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide
PubChem CID20522321
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide
SMILESCC(F)(C(=O)N(F)F)C1CC=CCC1
InChIInChI=1S/C9H12F3NO/c1-9(10,8(14)13(11)12)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3
InChIKeyKUJRNJZXSUSXDZ-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide?
The IUPAC name of 2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide (CID 20522321) is 2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide?
The canonical SMILES for 2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide is CC(F)(C(=O)N(F)F)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide?
The InChIKey is KUJRNJZXSUSXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-9(10,8(14)13(11)12)7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3.
What are the key properties of 2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide?
2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide has a molecular weight of 207.19 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-N,N,2-trifluoropropanamide is sourced from PubChem (CID 20522321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).