1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene

C14H10ClF3O — CID 134627988

IUPAC1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
SMILESCc1cc(-c2ccccc2OC(F)(F)F)ccc1Cl
InChIInChI=1S/C14H10ClF3O/c1-9-8-10(6-7-12(9)15)11-4-2-3-5-13(11)19-14(16,17)18/h2-8H,1H3
InChIKeyIVWVQAAYKZNRHN-UHFFFAOYSA-N
MW286.68 g/mol
LogP5.21
Rot. Bonds2

About 1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene

1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene (PubChem CID 134627988) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
PubChem CID134627988
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene
SMILESCc1cc(-c2ccccc2OC(F)(F)F)ccc1Cl
InChIInChI=1S/C14H10ClF3O/c1-9-8-10(6-7-12(9)15)11-4-2-3-5-13(11)19-14(16,17)18/h2-8H,1H3
InChIKeyIVWVQAAYKZNRHN-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.68
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N,N-dimethyl-4-[2-(trifluoromethoxy)phenyl]aniline
CID 118807452
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
2-methyl-4-(2-methylphenyl)-1-(trifluoromethoxy)benzene
CID 69483176
2,6-dimethyl-4-[2-(trifluoromethoxy)phenyl]benzaldehyde
CID 172876941
[2-methyl-5-[2-(trifluoromethoxy)phenyl]phenyl]methanamine
CID 155804267
2-fluoro-1-(trifluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118811736
2-chloro-4-fluoro-1-[3-methyl-4-(trifluoromethoxy)phenyl]benzene
CID 58902883
2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134625852
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
3-chloro-2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine
CID 134625989

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene (CID 134627988) is 1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene is Cc1cc(-c2ccccc2OC(F)(F)F)ccc1Cl.
What is the InChIKey of 1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene?
The InChIKey is IVWVQAAYKZNRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c1-9-8-10(6-7-12(9)15)11-4-2-3-5-13(11)19-14(16,17)18/h2-8H,1H3.
What are the key properties of 1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene?
1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene has a molecular weight of 286.68 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-4-[2-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134627988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).