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

C9H9F3 — CID 130837151

IUPAC5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene
SMILESCc1cc(C(F)F)cc(F)c1C
InChIInChI=1S/C9H9F3/c1-5-3-7(9(11)12)4-8(10)6(5)2/h3-4,9H,1-2H3
InChIKeyUWQIGMSPWJFBMS-UHFFFAOYSA-N
MW174.16 g/mol
LogP3.38
Rot. Bonds1

About 5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene

5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene (PubChem CID 130837151) has the molecular formula C9H9F3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene.

Molecular Properties

Compound Name5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene
PubChem CID130837151
Molecular FormulaC9H9F3
Molecular Weight174.16 g/mol
Exact Mass174.07
IUPAC Name5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene
SMILESCc1cc(C(F)F)cc(F)c1C
InChIInChI=1S/C9H9F3/c1-5-3-7(9(11)12)4-8(10)6(5)2/h3-4,9H,1-2H3
InChIKeyUWQIGMSPWJFBMS-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

1-chloro-5-(difluoromethyl)-3-fluoro-2-methylbenzene
CID 131169868
3-(3-fluoro-4,5-dimethylphenyl)butan-1-amine
CID 84773685
2-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773925
5-bromo-1-fluoro-2,3-dimethylbenzene;ethane
CID 171643506
2-bromo-5-(difluoromethyl)-1-iodo-3-methylbenzene
CID 171033403
5-[(3,5-difluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]-1,3-difluoro-2-methylbenzene
CID 153499802
4-(difluoromethyl)-2,6-difluorobenzonitrile
CID 119018224
[4-(difluoromethyl)-2,6-difluorophenyl]methanol
CID 131189605
pentafluoro-(2-fluoro-6-methyl-4-propan-2-ylphenyl)-λ6-sulfane
CID 170246244
4-(difluoromethyl)-2-fluoro-1-propan-2-ylbenzene
CID 139295380
3-fluoro-N,4,5-trimethylbenzamide
CID 142998846
(2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 63184968

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene?
The IUPAC name of 5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene (CID 130837151) is 5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene.
What is the SMILES notation for 5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene?
The canonical SMILES for 5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene is Cc1cc(C(F)F)cc(F)c1C.
What is the InChIKey of 5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene?
The InChIKey is UWQIGMSPWJFBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3/c1-5-3-7(9(11)12)4-8(10)6(5)2/h3-4,9H,1-2H3.
What are the key properties of 5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene?
5-(difluoromethyl)-1-fluoro-2,3-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 5-(difluoromethyl)-1-fluoro-2,3-dimethylbenzene is sourced from PubChem (CID 130837151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).