1-tetradecyl-4-(trifluoromethyl)benzene

C21H33F3 — CID 15527477

IUPAC1-tetradecyl-4-(trifluoromethyl)benzene
SMILESCCCCCCCCCCCCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H33F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21(22,23)24/h15-18H,2-14H2,1H3
InChIKeyKTKRRWFYNGERRY-UHFFFAOYSA-N
MW342.49 g/mol
LogP7.95
Rot. Bonds13

About 1-tetradecyl-4-(trifluoromethyl)benzene

1-tetradecyl-4-(trifluoromethyl)benzene (PubChem CID 15527477) has the molecular formula C21H33F3 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-tetradecyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-tetradecyl-4-(trifluoromethyl)benzene
PubChem CID15527477
Molecular FormulaC21H33F3
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name1-tetradecyl-4-(trifluoromethyl)benzene
SMILESCCCCCCCCCCCCCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H33F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21(22,23)24/h15-18H,2-14H2,1H3
InChIKeyKTKRRWFYNGERRY-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tetradecyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-tetradecyl-4-(trifluoromethyl)benzene (CID 15527477) is 1-tetradecyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-tetradecyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-tetradecyl-4-(trifluoromethyl)benzene is CCCCCCCCCCCCCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-tetradecyl-4-(trifluoromethyl)benzene?
The InChIKey is KTKRRWFYNGERRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(18-16-19)21(22,23)24/h15-18H,2-14H2,1H3.
What are the key properties of 1-tetradecyl-4-(trifluoromethyl)benzene?
1-tetradecyl-4-(trifluoromethyl)benzene has a molecular weight of 342.49 g/mol, XLogP of 7.95, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tetradecyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 15527477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).