1-(difluoromethyl)-2-(4-methylphenyl)benzene

C14H12F2 — CID 154426240

IUPAC1-(difluoromethyl)-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccccc2C(F)F)cc1
InChIInChI=1S/C14H12F2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9,14H,1H3
InChIKeySQZAYBMURWPICO-UHFFFAOYSA-N
MW218.25 g/mol
LogP4.60
Rot. Bonds2

About 1-(difluoromethyl)-2-(4-methylphenyl)benzene

1-(difluoromethyl)-2-(4-methylphenyl)benzene (PubChem CID 154426240) has the molecular formula C14H12F2 and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(difluoromethyl)-2-(4-methylphenyl)benzene
PubChem CID154426240
Molecular FormulaC14H12F2
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name1-(difluoromethyl)-2-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccccc2C(F)F)cc1
InChIInChI=1S/C14H12F2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9,14H,1H3
InChIKeySQZAYBMURWPICO-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(difluoromethyl)-2-(3-methylphenyl)benzene
CID 123429256
benzene;methane;1-methyl-4-[2-(1-phenylethyl)phenyl]benzene
CID 143650226
1-(dipropoxymethyl)-2-(4-methylphenyl)benzene
CID 139699193
1-[4-[2-(difluoromethyl)phenyl]phenyl]azetidine-3-carbaldehyde
CID 178151888
1-fluoro-2-[2-(4-methylphenyl)phenyl]benzene
CID 139250939
sodium;hydride;2-(4-methylphenyl)benzenethiol
CID 175197737
S-[2-(4-methylphenyl)phenyl]thiohydroxylamine
CID 142050886
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-(4-methylphenyl)benzene?
The IUPAC name of 1-(difluoromethyl)-2-(4-methylphenyl)benzene (CID 154426240) is 1-(difluoromethyl)-2-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(difluoromethyl)-2-(4-methylphenyl)benzene?
The canonical SMILES for 1-(difluoromethyl)-2-(4-methylphenyl)benzene is Cc1ccc(-c2ccccc2C(F)F)cc1.
What is the InChIKey of 1-(difluoromethyl)-2-(4-methylphenyl)benzene?
The InChIKey is SQZAYBMURWPICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9,14H,1H3.
What are the key properties of 1-(difluoromethyl)-2-(4-methylphenyl)benzene?
1-(difluoromethyl)-2-(4-methylphenyl)benzene has a molecular weight of 218.25 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-(4-methylphenyl)benzene is sourced from PubChem (CID 154426240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).