2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene

C17H17F3 — CID 142940681

IUPAC2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C17H17F3/c1-3-4-13-5-10-16(12(2)11-13)14-6-8-15(9-7-14)17(18,19)20/h5-11H,3-4H2,1-2H3
InChIKeyOUTXSSMTWNGEFQ-UHFFFAOYSA-N
MW278.32 g/mol
LogP5.63
Rot. Bonds3

About 2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene

2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 142940681) has the molecular formula C17H17F3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
PubChem CID142940681
Molecular FormulaC17H17F3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
SMILESCCCc1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C17H17F3/c1-3-4-13-5-10-16(12(2)11-13)14-6-8-15(9-7-14)17(18,19)20/h5-11H,3-4H2,1-2H3
InChIKeyOUTXSSMTWNGEFQ-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.32
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482
1,3,5-tripropyl-2-[4-(trifluoromethyl)phenyl]benzene
CID 123667290
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 139883468
2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid
CID 143366044
4-(2,2-dimethylpropyl)-2-methyl-1-(4-methylphenyl)benzene
CID 163976840
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
2-methyl-1-[4-(trifluoromethoxy)phenyl]-4-[9-[4-[4-(trifluoromethoxy)phenyl]phenyl]nonyl]benzene
CID 155259559
2-[3-methyl-4-[4-(trifluoromethyl)phenyl]phenoxy]ethanamine;hydrochloride
CID 163407566
2-fluoro-1-(4-methylphenyl)-4-[4-(4-propylphenyl)-3-(trifluoromethyl)phenyl]benzene
CID 91411014
2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene (CID 142940681) is 2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene is CCCc1ccc(-c2ccc(C(F)(F)F)cc2)c(C)c1.
What is the InChIKey of 2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is OUTXSSMTWNGEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3/c1-3-4-13-5-10-16(12(2)11-13)14-6-8-15(9-7-14)17(18,19)20/h5-11H,3-4H2,1-2H3.
What are the key properties of 2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene?
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 278.32 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 142940681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).