1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene

C15H21F3 — CID 146621194

IUPAC1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene
SMILESCCCCC(C)(CC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3/c1-4-6-11-14(3,5-2)12-7-9-13(10-8-12)15(16,17)18/h7-10H,4-6,11H2,1-3H3
InChIKeyWWQGYSHZOMZWQS-UHFFFAOYSA-N
MW258.33 g/mol
LogP5.56
Rot. Bonds5

About 1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene

1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene (PubChem CID 146621194) has the molecular formula C15H21F3 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene
PubChem CID146621194
Molecular FormulaC15H21F3
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene
SMILESCCCCC(C)(CC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3/c1-4-6-11-14(3,5-2)12-7-9-13(10-8-12)15(16,17)18/h7-10H,4-6,11H2,1-3H3
InChIKeyWWQGYSHZOMZWQS-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.33
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(3-methylheptan-3-yl)-2-(trifluoromethyl)benzene
CID 146270322
1-(2,2-dimethylhexyl)-4-(trifluoromethyl)benzene
CID 146324258
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
4-(5-methylundecan-5-yl)pyridine
CID 146178387
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
1-heptylsulfanyl-4-(trifluoromethyl)benzene
CID 167002826
1-methyl-4-(5-methylnonan-5-yl)benzene;5-methylnonan-5-ol
CID 159636901
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
3-methyl-3-(4-methylphenyl)pentan-1-amine
CID 126514675

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene (CID 146621194) is 1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene is CCCCC(C)(CC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene?
The InChIKey is WWQGYSHZOMZWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3/c1-4-6-11-14(3,5-2)12-7-9-13(10-8-12)15(16,17)18/h7-10H,4-6,11H2,1-3H3.
What are the key properties of 1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene?
1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene has a molecular weight of 258.33 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 146621194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).