1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene

C12H12F4 — CID 118269607

IUPAC1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene
SMILESC=CC(CC)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F4/c1-3-8(4-2)9-5-10(12(14,15)16)7-11(13)6-9/h3,5-8H,1,4H2,2H3
InChIKeyFDDYQHIZJQTHCR-UHFFFAOYSA-N
MW232.22 g/mol
LogP4.52
Rot. Bonds3

About 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene

1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene (PubChem CID 118269607) has the molecular formula C12H12F4 and a molecular weight of 232.22 g/mol. Its IUPAC name is 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene
PubChem CID118269607
Molecular FormulaC12H12F4
Molecular Weight232.22 g/mol
Exact Mass232.09
IUPAC Name1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene
SMILESC=CC(CC)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F4/c1-3-8(4-2)9-5-10(12(14,15)16)7-11(13)6-9/h3,5-8H,1,4H2,2H3
InChIKeyFDDYQHIZJQTHCR-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171207433
1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanamine
CID 18543066
(1S,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylpentan-2-ol
CID 171268942
4-amino-3-[3-fluoro-5-(trifluoromethyl)phenyl]hexanoic acid
CID 115351345
1-ethylsulfanyl-3-fluoro-5-(trifluoromethyl)benzene
CID 91658188
acetylene;buta-1,3-diene;1-fluoro-3-[(2R,3E,5E)-6-fluoro-3-methylocta-3,5-dien-2-yl]-5-(trifluoromethyl)benzene
CID 143471717
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517668
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242162

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene (CID 118269607) is 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene is C=CC(CC)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene?
The InChIKey is FDDYQHIZJQTHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4/c1-3-8(4-2)9-5-10(12(14,15)16)7-11(13)6-9/h3,5-8H,1,4H2,2H3.
What are the key properties of 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene?
1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene has a molecular weight of 232.22 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-pent-1-en-3-yl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 118269607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).