1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene

C8H5Cl2F3 — CID 14745915

IUPAC1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
SMILESCc1c(C(F)(F)F)ccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl2F3/c1-4-5(8(11,12)13)2-3-6(9)7(4)10/h2-3H,1H3
InChIKeyDKEPZNANVYCVOF-UHFFFAOYSA-N
MW229.03 g/mol
LogP4.32
Rot. Bonds

About 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene

1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene (PubChem CID 14745915) has the molecular formula C8H5Cl2F3 and a molecular weight of 229.03 g/mol. Its IUPAC name is 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
PubChem CID14745915
Molecular FormulaC8H5Cl2F3
Molecular Weight229.03 g/mol
Exact Mass227.97
IUPAC Name1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
SMILESCc1c(C(F)(F)F)ccc(Cl)c1Cl
InChIInChI=1S/C8H5Cl2F3/c1-4-5(8(11,12)13)2-3-6(9)7(4)10/h2-3H,1H3
InChIKeyDKEPZNANVYCVOF-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.03
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene (CID 14745915) is 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene is Cc1c(C(F)(F)F)ccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene?
The InChIKey is DKEPZNANVYCVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3/c1-4-5(8(11,12)13)2-3-6(9)7(4)10/h2-3H,1H3.
What are the key properties of 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene?
1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene has a molecular weight of 229.03 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 14745915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).