1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene

C14H12F2 — CID 169173470

IUPAC1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
SMILESCc1ccc(F)c(-c2cccc(C)c2F)c1
InChIInChI=1S/C14H12F2/c1-9-6-7-13(15)12(8-9)11-5-3-4-10(2)14(11)16/h3-8H,1-2H3
InChIKeyZEJOQBALXLSHKS-UHFFFAOYSA-N
MW218.25 g/mol
LogP4.25
Rot. Bonds1

About 1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene

1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene (PubChem CID 169173470) has the molecular formula C14H12F2 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene.

Molecular Properties

Compound Name1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
PubChem CID169173470
Molecular FormulaC14H12F2
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
SMILESCc1ccc(F)c(-c2cccc(C)c2F)c1
InChIInChI=1S/C14H12F2/c1-9-6-7-13(15)12(8-9)11-5-3-4-10(2)14(11)16/h3-8H,1-2H3
InChIKeyZEJOQBALXLSHKS-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580
2-(2-bromophenyl)-1-fluoro-4-methylbenzene
CID 90775083
2-(2-fluorophenyl)-1,4-dimethylbenzene
CID 66641436
2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
CID 114898449
1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
CID 134617358
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene
CID 119008947
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956
5-(2-fluoro-5-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410304
4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne
CID 155425343
1-[2-(2-fluoro-5-methylphenyl)phenyl]-N-methylethanamine
CID 54911598
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene?
The IUPAC name of 1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene (CID 169173470) is 1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene.
What is the SMILES notation for 1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene?
The canonical SMILES for 1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene is Cc1ccc(F)c(-c2cccc(C)c2F)c1.
What is the InChIKey of 1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene?
The InChIKey is ZEJOQBALXLSHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2/c1-9-6-7-13(15)12(8-9)11-5-3-4-10(2)14(11)16/h3-8H,1-2H3.
What are the key properties of 1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene?
1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene has a molecular weight of 218.25 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene is sourced from PubChem (CID 169173470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).