2,3-bis(difluoromethyl)-1,4-dimethylbenzene

C10H10F4 — CID 59795341

IUPAC2,3-bis(difluoromethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(F)F)c1C(F)F
InChIInChI=1S/C10H10F4/c1-5-3-4-6(2)8(10(13)14)7(5)9(11)12/h3-4,9-10H,1-2H3
InChIKeyMYXRPFYIPSKKSZ-UHFFFAOYSA-N
MW206.18 g/mol
LogP4.18
Rot. Bonds2

About 2,3-bis(difluoromethyl)-1,4-dimethylbenzene

2,3-bis(difluoromethyl)-1,4-dimethylbenzene (PubChem CID 59795341) has the molecular formula C10H10F4 and a molecular weight of 206.18 g/mol. Its IUPAC name is 2,3-bis(difluoromethyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2,3-bis(difluoromethyl)-1,4-dimethylbenzene
PubChem CID59795341
Molecular FormulaC10H10F4
Molecular Weight206.18 g/mol
Exact Mass206.07
IUPAC Name2,3-bis(difluoromethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(C(F)F)c1C(F)F
InChIInChI=1S/C10H10F4/c1-5-3-4-6(2)8(10(13)14)7(5)9(11)12/h3-4,9-10H,1-2H3
InChIKeyMYXRPFYIPSKKSZ-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene
CID 131096553
1-bromo-2-(difluoromethyl)-3-methylbenzene
CID 84686328
6-chloro-2-(difluoromethyl)-3-methylbenzoic acid
CID 155821945
1-[3-bromo-2-(difluoromethyl)-6-methylphenyl]ethanone
CID 131329067
3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130097794
2-(difluoromethyl)-3,6-dimethylpyridine
CID 121232017
6-amino-2-[(1S)-1-amino-2,2-difluoroethyl]-3-methylphenol
CID 131219013
1-(difluoromethyl)-4-methylnaphthalene
CID 53408199
6-(difluoromethyl)-2-fluoro-3-methylpyridine
CID 130096225
2-[(1R)-1-amino-2,2-difluoroethyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253538
2-(difluoromethyl)-3-fluoro-1-methyl-4-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 143115205
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(difluoromethyl)-1,4-dimethylbenzene?
The IUPAC name of 2,3-bis(difluoromethyl)-1,4-dimethylbenzene (CID 59795341) is 2,3-bis(difluoromethyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2,3-bis(difluoromethyl)-1,4-dimethylbenzene?
The canonical SMILES for 2,3-bis(difluoromethyl)-1,4-dimethylbenzene is Cc1ccc(C)c(C(F)F)c1C(F)F.
What is the InChIKey of 2,3-bis(difluoromethyl)-1,4-dimethylbenzene?
The InChIKey is MYXRPFYIPSKKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4/c1-5-3-4-6(2)8(10(13)14)7(5)9(11)12/h3-4,9-10H,1-2H3.
What are the key properties of 2,3-bis(difluoromethyl)-1,4-dimethylbenzene?
2,3-bis(difluoromethyl)-1,4-dimethylbenzene has a molecular weight of 206.18 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(difluoromethyl)-1,4-dimethylbenzene is sourced from PubChem (CID 59795341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).