1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene

C14H9F5 — CID 158879468

IUPAC1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(F)c(F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F5/c1-8-6-12(15)13(16)7-10(8)9-4-2-3-5-11(9)14(17,18)19/h2-7H,1H3
InChIKeyNXPNFAOARJUZCS-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.96
Rot. Bonds1

About 1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene

1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 158879468) has the molecular formula C14H9F5 and a molecular weight of 272.22 g/mol. Its IUPAC name is 1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
PubChem CID158879468
Molecular FormulaC14H9F5
Molecular Weight272.22 g/mol
Exact Mass272.06
IUPAC Name1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1cc(F)c(F)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9F5/c1-8-6-12(15)13(16)7-10(8)9-4-2-3-5-11(9)14(17,18)19/h2-7H,1H3
InChIKeyNXPNFAOARJUZCS-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
CID 118823457
4-chloro-2-methyl-1-[2-(trifluoromethyl)phenyl]benzene
CID 118834049
4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 134629680
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene
CID 134617391
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
methyl 4,5-difluoro-2-[2-(trifluoromethyl)phenyl]benzoate
CID 118846081
4-fluoro-3-[2-(trifluoromethyl)phenyl]aniline
CID 112694389
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene (CID 158879468) is 1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene is Cc1cc(F)c(F)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is NXPNFAOARJUZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5/c1-8-6-12(15)13(16)7-10(8)9-4-2-3-5-11(9)14(17,18)19/h2-7H,1H3.
What are the key properties of 1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene?
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 272.22 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 158879468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).