1-oct-7-en-2-yl-4-(trifluoromethyl)benzene

C15H19F3 — CID 134981740

IUPAC1-oct-7-en-2-yl-4-(trifluoromethyl)benzene
SMILESC=CCCCCC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3/c1-3-4-5-6-7-12(2)13-8-10-14(11-9-13)15(16,17)18/h3,8-12H,1,4-7H2,2H3
InChIKeyCZNCQSFJHLLWNT-UHFFFAOYSA-N
MW256.31 g/mol
LogP5.56
Rot. Bonds6

About 1-oct-7-en-2-yl-4-(trifluoromethyl)benzene

1-oct-7-en-2-yl-4-(trifluoromethyl)benzene (PubChem CID 134981740) has the molecular formula C15H19F3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-oct-7-en-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-oct-7-en-2-yl-4-(trifluoromethyl)benzene
PubChem CID134981740
Molecular FormulaC15H19F3
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-oct-7-en-2-yl-4-(trifluoromethyl)benzene
SMILESC=CCCCCC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H19F3/c1-3-4-5-6-7-12(2)13-8-10-14(11-9-13)15(16,17)18/h3,8-12H,1,4-7H2,2H3
InChIKeyCZNCQSFJHLLWNT-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.31
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
Isobutylbenzene
CID 10870
4-Methylbiphenyl
CID 12566
p-alpha-Dimethyl styrene
CID 62385
M-Cymene
CID 10812

Frequently Asked Questions

What is the IUPAC name of 1-oct-7-en-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-oct-7-en-2-yl-4-(trifluoromethyl)benzene (CID 134981740) is 1-oct-7-en-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-oct-7-en-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-oct-7-en-2-yl-4-(trifluoromethyl)benzene is C=CCCCCC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-oct-7-en-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is CZNCQSFJHLLWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3/c1-3-4-5-6-7-12(2)13-8-10-14(11-9-13)15(16,17)18/h3,8-12H,1,4-7H2,2H3.
What are the key properties of 1-oct-7-en-2-yl-4-(trifluoromethyl)benzene?
1-oct-7-en-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 256.31 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-7-en-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 134981740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).