3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene

C9H11F3 — CID 14295660

IUPAC3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
SMILESC=C(C1C=CCCC1)C(F)(F)F
InChIInChI=1S/C9H11F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h3,5,8H,1-2,4,6H2
InChIKeyQWKRPYBNTQQDPQ-UHFFFAOYSA-N
MW176.18 g/mol
LogP3.46
Rot. Bonds1

About 3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene

3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene (PubChem CID 14295660) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene.

Molecular Properties

Compound Name3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
PubChem CID14295660
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
SMILESC=C(C1C=CCCC1)C(F)(F)F
InChIInChI=1S/C9H11F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h3,5,8H,1-2,4,6H2
InChIKeyQWKRPYBNTQQDPQ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(Prop-2-en-1-yl)cyclohex-1-ene
CID 139918
4-Methylidene-3-prop-1-en-2-ylcyclohexene
CID 91021845
Bicyclo(2.2.1)hept-2-ene, 2-trifluoromethyl-
CID 145604
2,3-Bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 594623
4-Ethenyl-1,1-difluorocyclohexane
CID 123987847
[(E)-3,3,3-Trifluoro-1-propenyl]cyclohexane
CID 10487552
3-(Trifluoromethyl)cyclohexene
CID 15104043
(R)-2,6-Dimethyl-8,8-difluoro-2-octene
CID 101488936
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
(3R)-3-(trifluoromethyl)cyclohexene
CID 155430875
(E)-1-Cyclohexyl-4,4,4-trifluoro-1-butene
CID 71814106
5-(Difluoromethylidene)bicyclo[2.2.1]hept-2-ene
CID 12769996

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene?
The IUPAC name of 3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene (CID 14295660) is 3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene.
What is the SMILES notation for 3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene?
The canonical SMILES for 3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene is C=C(C1C=CCCC1)C(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene?
The InChIKey is QWKRPYBNTQQDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h3,5,8H,1-2,4,6H2.
What are the key properties of 3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene?
3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene has a molecular weight of 176.18 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene is sourced from PubChem (CID 14295660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).