1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene

C13H6ClF5 — CID 134629587

IUPAC1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
SMILESFc1cccc(-c2cc(Cl)ccc2C(F)(F)F)c1F
InChIInChI=1S/C13H6ClF5/c14-7-4-5-10(13(17,18)19)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H
InChIKeyYSTKFAJOUDXSIW-UHFFFAOYSA-N
MW292.63 g/mol
LogP5.30
Rot. Bonds1

About 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene

1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene (PubChem CID 134629587) has the molecular formula C13H6ClF5 and a molecular weight of 292.63 g/mol. Its IUPAC name is 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
PubChem CID134629587
Molecular FormulaC13H6ClF5
Molecular Weight292.63 g/mol
Exact Mass292.01
IUPAC Name1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
SMILESFc1cccc(-c2cc(Cl)ccc2C(F)(F)F)c1F
InChIInChI=1S/C13H6ClF5/c14-7-4-5-10(13(17,18)19)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H
InChIKeyYSTKFAJOUDXSIW-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.63
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134629579
1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene
CID 157221283
1,2-difluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 118826542
4-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridin-2-amine
CID 119001740
4-chloro-2-[2-(trifluoromethyl)phenyl]benzenethiol
CID 151006940
4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 134629680
5-chloro-2,3-bis(2,3-difluorophenyl)pyridine
CID 133087890
1-[3-(bromomethyl)-4-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 134625578
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
[4-chloro-2-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134629558
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene?
The IUPAC name of 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene (CID 134629587) is 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene is Fc1cccc(-c2cc(Cl)ccc2C(F)(F)F)c1F.
What is the InChIKey of 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene?
The InChIKey is YSTKFAJOUDXSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF5/c14-7-4-5-10(13(17,18)19)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H.
What are the key properties of 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene?
1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene has a molecular weight of 292.63 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene is sourced from PubChem (CID 134629587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).