1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene

C15H19F3 — CID 123433309

IUPAC1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene
SMILESCC=C(C)CC(C)c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C15H19F3/c1-5-10(2)8-12(4)14-9-13(15(16,17)18)7-6-11(14)3/h5-7,9,12H,8H2,1-4H3
InChIKeyZHNAEGZNERBUQS-UHFFFAOYSA-N
MW256.31 g/mol
LogP5.47
Rot. Bonds3

About 1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene

1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene (PubChem CID 123433309) has the molecular formula C15H19F3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene
PubChem CID123433309
Molecular FormulaC15H19F3
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene
SMILESCC=C(C)CC(C)c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C15H19F3/c1-5-10(2)8-12(4)14-9-13(15(16,17)18)7-6-11(14)3/h5-7,9,12H,8H2,1-4H3
InChIKeyZHNAEGZNERBUQS-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.31
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517614
4-bromo-1-[2-methyl-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 171892520
3-[2-methyl-5-(trifluoromethyl)anilino]butanoic acid
CID 66480950
3-[2-hydroxy-5-(trifluoromethyl)phenyl]butanal
CID 117335858
2-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117349702
1-[2-methyl-5-(trifluoromethyl)phenyl]-3-propan-2-ylthiourea
CID 115669217
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
N-[3,4-dihydroxy-4-[2-methyl-4-(trifluoromethyl)phenyl]butyl]acetamide
CID 171883561
N-[(Z)-3-chloro-2-methylprop-2-enyl]-2-methyl-5-(trifluoromethyl)aniline
CID 106437871
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
CID 107907236

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene (CID 123433309) is 1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene is CC=C(C)CC(C)c1cc(C(F)(F)F)ccc1C.
What is the InChIKey of 1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene?
The InChIKey is ZHNAEGZNERBUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3/c1-5-10(2)8-12(4)14-9-13(15(16,17)18)7-6-11(14)3/h5-7,9,12H,8H2,1-4H3.
What are the key properties of 1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene?
1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene has a molecular weight of 256.31 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylhex-4-en-2-yl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 123433309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).