1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene

C17H17F3 — CID 134966685

IUPAC1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene
SMILESCCCc1cc(-c2cccc(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C17H17F3/c1-3-5-13-10-15(9-8-12(13)2)14-6-4-7-16(11-14)17(18,19)20/h4,6-11H,3,5H2,1-2H3
InChIKeyPRQZVOVVPKYIKH-UHFFFAOYSA-N
MW278.32 g/mol
LogP5.63
Rot. Bonds3

About 1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene

1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 134966685) has the molecular formula C17H17F3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene
PubChem CID134966685
Molecular FormulaC17H17F3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene
SMILESCCCc1cc(-c2cccc(C(F)(F)F)c2)ccc1C
InChIInChI=1S/C17H17F3/c1-3-5-13-10-15(9-8-12(13)2)14-6-4-7-16(11-14)17(18,19)20/h4,6-11H,3,5H2,1-2H3
InChIKeyPRQZVOVVPKYIKH-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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene (CID 134966685) is 1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene is CCCc1cc(-c2cccc(C(F)(F)F)c2)ccc1C.
What is the InChIKey of 1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is PRQZVOVVPKYIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3/c1-3-5-13-10-15(9-8-12(13)2)14-6-4-7-16(11-14)17(18,19)20/h4,6-11H,3,5H2,1-2H3.
What are the key properties of 1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene?
1-methyl-2-propyl-4-[3-(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 1-methyl-2-propyl-4-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134966685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).