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

C9H9F3 — CID 131096553

IUPAC3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene
SMILESCc1ccc(F)c(C)c1C(F)F
InChIInChI=1S/C9H9F3/c1-5-3-4-7(10)6(2)8(5)9(11)12/h3-4,9H,1-2H3
InChIKeyLANLKYREMFSCSQ-UHFFFAOYSA-N
MW174.16 g/mol
LogP3.38
Rot. Bonds1

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

3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene (PubChem CID 131096553) has the molecular formula C9H9F3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene.

Molecular Properties

Compound Name3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene
PubChem CID131096553
Molecular FormulaC9H9F3
Molecular Weight174.16 g/mol
Exact Mass174.07
IUPAC Name3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene
SMILESCc1ccc(F)c(C)c1C(F)F
InChIInChI=1S/C9H9F3/c1-5-3-4-7(10)6(2)8(5)9(11)12/h3-4,9H,1-2H3
InChIKeyLANLKYREMFSCSQ-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(difluoromethyl)-1,4-dimethylbenzene
CID 59795341
1-chloro-2-(difluoromethyl)-4-fluoro-3-methylbenzene
CID 130863176
(4-fluoro-3-methyl-2-propan-2-ylphenyl)phosphane
CID 143190268
2-[(1R)-1-amino-2,2-difluoroethyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253538
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
ethane;1-fluoro-2,3-dimethyl-4-(2,3,4-trimethylphenyl)benzene
CID 144503009
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
4-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130870686
2-[(1S,2R)-1-amino-2-hydroxypropyl]-6-fluoro-3-methylphenol
CID 130655554
(2S,3R)-3-(6-fluoro-2,3-dimethylphenyl)butan-2-amine
CID 154697500
3-(difluoromethyl)-5-fluoro-4-methylpyridin-2-amine
CID 119000809

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene?
The IUPAC name of 3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene (CID 131096553) is 3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene.
What is the SMILES notation for 3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene?
The canonical SMILES for 3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene is Cc1ccc(F)c(C)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene?
The InChIKey is LANLKYREMFSCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3/c1-5-3-4-7(10)6(2)8(5)9(11)12/h3-4,9H,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene?
3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene has a molecular weight of 174.16 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-fluoro-2,4-dimethylbenzene is sourced from PubChem (CID 131096553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).