4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene

C9H11F3 — CID 163808225

IUPAC4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene
SMILESCCC1CC(C(F)(F)F)=C2CC21
InChIInChI=1S/C9H11F3/c1-2-5-3-8(9(10,11)12)7-4-6(5)7/h5-6H,2-4H2,1H3
InChIKeyNKYCNAHYTXFAPU-UHFFFAOYSA-N
MW176.18 g/mol
LogP3.30
Rot. Bonds1

About 4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene

4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene (PubChem CID 163808225) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is 4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene.

Molecular Properties

Compound Name4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene
PubChem CID163808225
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene
SMILESCCC1CC(C(F)(F)F)=C2CC21
InChIInChI=1S/C9H11F3/c1-2-5-3-8(9(10,11)12)7-4-6(5)7/h5-6H,2-4H2,1H3
InChIKeyNKYCNAHYTXFAPU-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene?
The IUPAC name of 4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene (CID 163808225) is 4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene.
What is the SMILES notation for 4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene?
The canonical SMILES for 4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene is CCC1CC(C(F)(F)F)=C2CC21.
What is the InChIKey of 4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene?
The InChIKey is NKYCNAHYTXFAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3/c1-2-5-3-8(9(10,11)12)7-4-6(5)7/h5-6H,2-4H2,1H3.
What are the key properties of 4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene?
4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene has a molecular weight of 176.18 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(trifluoromethyl)bicyclo[3.1.0]hex-1-ene is sourced from PubChem (CID 163808225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).