4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene

C11H12ClF3 — CID 118359594

IUPAC4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
SMILESCC(C)Cc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C11H12ClF3/c1-7(2)5-8-6-9(12)3-4-10(8)11(13,14)15/h3-4,6-7H,5H2,1-2H3
InChIKeyZVUSOBLGBQQMMC-UHFFFAOYSA-N
MW236.66 g/mol
LogP4.56
Rot. Bonds2

About 4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene

4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene (PubChem CID 118359594) has the molecular formula C11H12ClF3 and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
PubChem CID118359594
Molecular FormulaC11H12ClF3
Molecular Weight236.66 g/mol
Exact Mass236.06
IUPAC Name4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
SMILESCC(C)Cc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C11H12ClF3/c1-7(2)5-8-6-9(12)3-4-10(8)11(13,14)15/h3-4,6-7H,5H2,1-2H3
InChIKeyZVUSOBLGBQQMMC-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 167531090
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
[3-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 155419142
2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170892844
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
3-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpropanal
CID 91884155
ethyl 2-[5-chloro-2-(trifluoromethyl)phenyl]acetate
CID 66765121
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine
CID 171227133
1-chloro-5-[3-[4-chloro-2-(trifluoromethyl)phenyl]-2-methylpropyl]-2-propyl-4-(trifluoromethyl)benzene
CID 126732761
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-4-methylpiperidine;ethane
CID 145319280

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene?
The IUPAC name of 4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene (CID 118359594) is 4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene is CC(C)Cc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of 4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene?
The InChIKey is ZVUSOBLGBQQMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3/c1-7(2)5-8-6-9(12)3-4-10(8)11(13,14)15/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene?
4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene has a molecular weight of 236.66 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene is sourced from PubChem (CID 118359594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).