1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene

C14H9ClF4O — CID 164895087

IUPAC1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
SMILESCc1ccc(Cl)c(-c2ccc(OC(F)(F)F)cc2)c1F
InChIInChI=1S/C14H9ClF4O/c1-8-2-7-11(15)12(13(8)16)9-3-5-10(6-4-9)20-14(17,18)19/h2-7H,1H3
InChIKeyCHUGIRHMOCTQJN-UHFFFAOYSA-N
MW304.67 g/mol
LogP5.35
Rot. Bonds2

About 1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene

1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 164895087) has the molecular formula C14H9ClF4O and a molecular weight of 304.67 g/mol. Its IUPAC name is 1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID164895087
Molecular FormulaC14H9ClF4O
Molecular Weight304.67 g/mol
Exact Mass304.03
IUPAC Name1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene
SMILESCc1ccc(Cl)c(-c2ccc(OC(F)(F)F)cc2)c1F
InChIInChI=1S/C14H9ClF4O/c1-8-2-7-11(15)12(13(8)16)9-3-5-10(6-4-9)20-14(17,18)19/h2-7H,1H3
InChIKeyCHUGIRHMOCTQJN-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.67
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2,3,5,6-tetrafluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 134627917
1-chloro-3-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775479
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
5-[7-[3,5-dimethyl-4-[4-(trifluoromethoxy)phenyl]phenyl]heptyl]-1,3-dimethyl-2-[4-(trifluoromethoxy)phenyl]benzene
CID 144502444
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
1-chloro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 170998677
3-chloro-2-[4-(trifluoromethoxy)phenyl]benzonitrile
CID 134630909
5-chloro-2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171916719
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
1-(chloromethyl)-3-fluoro-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134620016
1-(bromomethyl)-2,3,5,6-tetrafluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845186

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene (CID 164895087) is 1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene is Cc1ccc(Cl)c(-c2ccc(OC(F)(F)F)cc2)c1F.
What is the InChIKey of 1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is CHUGIRHMOCTQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4O/c1-8-2-7-11(15)12(13(8)16)9-3-5-10(6-4-9)20-14(17,18)19/h2-7H,1H3.
What are the key properties of 1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene?
1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 304.67 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-4-methyl-2-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 164895087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).