2-chloro-1-methyl-3-(trifluoromethyl)benzene

C8H6ClF3 — CID 12712336

IUPAC2-chloro-1-methyl-3-(trifluoromethyl)benzene
SMILESCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H6ClF3/c1-5-3-2-4-6(7(5)9)8(10,11)12/h2-4H,1H3
InChIKeyNJLAMXMEANIPBX-UHFFFAOYSA-N
MW194.58 g/mol
LogP3.67
Rot. Bonds

About 2-chloro-1-methyl-3-(trifluoromethyl)benzene

2-chloro-1-methyl-3-(trifluoromethyl)benzene (PubChem CID 12712336) has the molecular formula C8H6ClF3 and a molecular weight of 194.58 g/mol. Its IUPAC name is 2-chloro-1-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-methyl-3-(trifluoromethyl)benzene
PubChem CID12712336
Molecular FormulaC8H6ClF3
Molecular Weight194.58 g/mol
Exact Mass194.01
IUPAC Name2-chloro-1-methyl-3-(trifluoromethyl)benzene
SMILESCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C8H6ClF3/c1-5-3-2-4-6(7(5)9)8(10,11)12/h2-4H,1H3
InChIKeyNJLAMXMEANIPBX-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.58
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-methyl-3-(trifluoromethyl)benzene (CID 12712336) is 2-chloro-1-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-methyl-3-(trifluoromethyl)benzene is Cc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-1-methyl-3-(trifluoromethyl)benzene?
The InChIKey is NJLAMXMEANIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3/c1-5-3-2-4-6(7(5)9)8(10,11)12/h2-4H,1H3.
What are the key properties of 2-chloro-1-methyl-3-(trifluoromethyl)benzene?
2-chloro-1-methyl-3-(trifluoromethyl)benzene has a molecular weight of 194.58 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 12712336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).