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

C12H13Cl2F3 — CID 58427452

IUPAC1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene
SMILESCC(C)C(C)c1cc(C(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2F3/c1-6(2)7(3)8-4-9(12(15,16)17)11(14)5-10(8)13/h4-7H,1-3H3
InChIKeyTUMPNNQULPUZPC-UHFFFAOYSA-N
MW285.14 g/mol
LogP5.77
Rot. Bonds2

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

1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene (PubChem CID 58427452) has the molecular formula C12H13Cl2F3 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene
PubChem CID58427452
Molecular FormulaC12H13Cl2F3
Molecular Weight285.14 g/mol
Exact Mass284.03
IUPAC Name1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene
SMILESCC(C)C(C)c1cc(C(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2F3/c1-6(2)7(3)8-4-9(12(15,16)17)11(14)5-10(8)13/h4-7H,1-3H3
InChIKeyTUMPNNQULPUZPC-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.14
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dichloro-5-(trifluoromethyl)benzenethiol
CID 121234788
1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584137
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
1-[2,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 119002578
4-chloro-5-propan-2-yl-2-(trifluoromethyl)benzonitrile
CID 166584222
4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine
CID 170214219
[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine
CID 171014545
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 156849313
(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131398448
1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 154959566
[5-chloro-2-methyl-4-(trifluoromethyl)phenyl]boronic acid
CID 46738894

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene (CID 58427452) is 1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene is CC(C)C(C)c1cc(C(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene?
The InChIKey is TUMPNNQULPUZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F3/c1-6(2)7(3)8-4-9(12(15,16)17)11(14)5-10(8)13/h4-7H,1-3H3.
What are the key properties of 1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene?
1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene has a molecular weight of 285.14 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-(3-methylbutan-2-yl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 58427452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).