1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene

C15H21F3 — CID 144748476

IUPAC1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene
SMILESCC(C)CC(c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C15H21F3/c1-10(2)9-14(11(3)4)12-5-7-13(8-6-12)15(16,17)18/h5-8,10-11,14H,9H2,1-4H3
InChIKeyLRILVTLVNOSBOD-UHFFFAOYSA-N
MW258.33 g/mol
LogP5.49
Rot. Bonds4

About 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene

1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene (PubChem CID 144748476) has the molecular formula C15H21F3 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene
PubChem CID144748476
Molecular FormulaC15H21F3
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene
SMILESCC(C)CC(c1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C15H21F3/c1-10(2)9-14(11(3)4)12-5-7-13(8-6-12)15(16,17)18/h5-8,10-11,14H,9H2,1-4H3
InChIKeyLRILVTLVNOSBOD-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.33
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)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-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)benzene
CID 177016674
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 112509139
1-chloro-4-(2,5-dimethylhexan-3-yl)benzene
CID 123685686
(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-ol
CID 67342546
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
[4-(2,5-dimethylhexan-3-yl)phenyl]methanol
CID 58807001
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
3,4,4-trimethyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115852178
2-[4-(5-iodo-2-methylhexan-3-yl)phenyl]-3-methylbutan-2-ol
CID 126639821
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene (CID 144748476) is 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene is CC(C)CC(c1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene?
The InChIKey is LRILVTLVNOSBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3/c1-10(2)9-14(11(3)4)12-5-7-13(8-6-12)15(16,17)18/h5-8,10-11,14H,9H2,1-4H3.
What are the key properties of 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene?
1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene has a molecular weight of 258.33 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 144748476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).