1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene

C14H10F4 — CID 134626767

IUPAC1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1c(F)cccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F4/c1-9-10(6-4-8-13(9)15)11-5-2-3-7-12(11)14(16,17)18/h2-8H,1H3
InChIKeyBJKNWWDCLHYIAL-UHFFFAOYSA-N
MW254.23 g/mol
LogP4.82
Rot. Bonds1

About 1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene

1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 134626767) has the molecular formula C14H10F4 and a molecular weight of 254.23 g/mol. Its IUPAC name is 1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
PubChem CID134626767
Molecular FormulaC14H10F4
Molecular Weight254.23 g/mol
Exact Mass254.07
IUPAC Name1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1c(F)cccc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10F4/c1-9-10(6-4-8-13(9)15)11-5-2-3-7-12(11)14(16,17)18/h2-8H,1H3
InChIKeyBJKNWWDCLHYIAL-UHFFFAOYSA-N
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
ethane;1-fluoro-2-methyl-3-(trifluoromethyl)benzene;toluene
CID 143604043
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468
2-(difluoromethoxy)-1-fluoro-3-[2-(trifluoromethyl)phenyl]benzene
CID 118814732
1,2,4,5-tetrafluoro-3-methyl-6-[2-(trifluoromethyl)phenyl]benzene
CID 134628456
1-(2,3-difluorophenyl)-3-fluoro-2-methyl-4-(trifluoromethyl)benzene
CID 157221283
2-fluoro-6-(3-fluoro-2-methylphenyl)aniline
CID 107602875
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
1,2,3,4,5-pentafluoro-6-[2-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134620901
4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
CID 118823457
1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene
CID 134617391

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene (CID 134626767) is 1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene is Cc1c(F)cccc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is BJKNWWDCLHYIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4/c1-9-10(6-4-8-13(9)15)11-5-2-3-7-12(11)14(16,17)18/h2-8H,1H3.
What are the key properties of 1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene?
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 254.23 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134626767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).