[3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene

C18H17F3 — CID 71419715

IUPAC[3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene
SMILESC=CC(CCc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H17F3/c1-2-17(18(19,20)21,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h2-12H,1,13-14H2
InChIKeyVNUNHKWMIWIUBF-UHFFFAOYSA-N
MW290.33 g/mol
LogP5.31
Rot. Bonds5

About [3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene

[3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene (PubChem CID 71419715) has the molecular formula C18H17F3 and a molecular weight of 290.33 g/mol. Its IUPAC name is [3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene.

Molecular Properties

Compound Name[3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene
PubChem CID71419715
Molecular FormulaC18H17F3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name[3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene
SMILESC=CC(CCc1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H17F3/c1-2-17(18(19,20)21,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h2-12H,1,13-14H2
InChIKeyVNUNHKWMIWIUBF-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.33
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [3-phenyl-3-(trifluoromethyl)pent-4-enyl]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

1,3-diphenylhept-6-en-3-ylbenzene
CID 160526868
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
(6-chloro-3,3,4,4,5,5,6,6-octafluorohexyl)benzene
CID 15485608
(5,5,5-trifluoro-4,4-dimethylpentyl)benzene
CID 145046793
(3S)-4,4-difluoro-1-phenylhex-5-en-3-ol
CID 102308053
(3R)-4,4-difluoro-1-phenylhex-5-en-3-ol
CID 102308052
(2-benzyl-1,4-diphenylbutan-2-yl)benzene
CID 21493579
[3-(benzenesulfonyl)-3,3-difluoropropyl]benzene
CID 11335440
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
sulfuryl dichloride;3,3,3-trifluoropropylbenzene
CID 174656156
4-hydroxy-4-(2-phenylethyl)hex-5-en-3-one
CID 145233908
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of [3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene?
The IUPAC name of [3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene (CID 71419715) is [3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene.
What is the SMILES notation for [3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene?
The canonical SMILES for [3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene is C=CC(CCc1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of [3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene?
The InChIKey is VNUNHKWMIWIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3/c1-2-17(18(19,20)21,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h2-12H,1,13-14H2.
What are the key properties of [3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene?
[3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene has a molecular weight of 290.33 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene is sourced from PubChem (CID 71419715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).