1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene

C11H12ClF3 — CID 130480328

IUPAC1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene
SMILESCCC(Cl)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C11H12ClF3/c1-3-10(12)9-5-4-8(6-7(9)2)11(13,14)15/h4-6,10H,3H2,1-2H3
InChIKeyMYGGLDYOAGITMP-UHFFFAOYSA-N
MW236.66 g/mol
LogP4.70
Rot. Bonds2

About 1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene

1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene (PubChem CID 130480328) has the molecular formula C11H12ClF3 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene
PubChem CID130480328
Molecular FormulaC11H12ClF3
Molecular Weight236.66 g/mol
Exact Mass236.06
IUPAC Name1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene
SMILESCCC(Cl)c1ccc(C(F)(F)F)cc1C
InChIInChI=1S/C11H12ClF3/c1-3-10(12)9-5-4-8(6-7(9)2)11(13,14)15/h4-6,10H,3H2,1-2H3
InChIKeyMYGGLDYOAGITMP-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
2,2-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 103517278
2-fluoro-1-pentan-3-yl-4-(trifluoromethyl)benzene
CID 162605330
2-bromo-1-(3-chloropentan-2-yl)-4-(trifluoromethyl)benzene
CID 115512250
(3-chloro-2-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 107103538
N-[[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethyl]ethanamine
CID 102753616
1-[2-methyl-4-(trifluoromethyl)phenyl]-3-propoxypropan-1-amine
CID 102758716
(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-propan-2-ylsulfanylethanamine
CID 102754214
2-methyl-1-[(2R)-2-methylbutyl]-4-(trifluoromethyl)benzene
CID 135135802
N-[(2-methylcyclopropyl)-[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102754363
2,2-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-N-propylbutan-1-amine
CID 102757971

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene (CID 130480328) is 1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene is CCC(Cl)c1ccc(C(F)(F)F)cc1C.
What is the InChIKey of 1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene?
The InChIKey is MYGGLDYOAGITMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3/c1-3-10(12)9-5-4-8(6-7(9)2)11(13,14)15/h4-6,10H,3H2,1-2H3.
What are the key properties of 1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene?
1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene has a molecular weight of 236.66 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropyl)-2-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 130480328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).