1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene

C9H10F2 — CID 118836013

IUPAC1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene
SMILESCc1cc(F)c(CF)cc1C
InChIInChI=1S/C9H10F2/c1-6-3-8(5-10)9(11)4-7(6)2/h3-4H,5H2,1-2H3
InChIKeyYXTKINVHCGEKPB-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.91
Rot. Bonds1

About 1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene

1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene (PubChem CID 118836013) has the molecular formula C9H10F2 and a molecular weight of 156.17 g/mol. Its IUPAC name is 1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene
PubChem CID118836013
Molecular FormulaC9H10F2
Molecular Weight156.17 g/mol
Exact Mass156.08
IUPAC Name1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene
SMILESCc1cc(F)c(CF)cc1C
InChIInChI=1S/C9H10F2/c1-6-3-8(5-10)9(11)4-7(6)2/h3-4H,5H2,1-2H3
InChIKeyYXTKINVHCGEKPB-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
CID 130909757
1-chloro-4-fluoro-2-(fluoromethyl)-5-methylbenzene
CID 131118728
1-chloro-2-fluoro-4-(fluoromethyl)-5-methylbenzene
CID 130952745
1-chloro-2,4-difluoro-5-(fluoromethyl)benzene
CID 118802249
2-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]oxirane
CID 83931662
1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene
CID 131118392
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909
1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene
CID 83931670
1,5-difluoro-2-methyl-4-(methylsulfonylmethyl)benzene
CID 131983850
1-fluoro-4,5-dimethyl-2-(2-methylhex-3-ynyl)benzene
CID 83931656
1-(2,4-difluoro-5-methylphenyl)-N-methylmethanamine
CID 79725175
1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
CID 134572668

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene?
The IUPAC name of 1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene (CID 118836013) is 1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene.
What is the SMILES notation for 1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene?
The canonical SMILES for 1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene is Cc1cc(F)c(CF)cc1C.
What is the InChIKey of 1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene?
The InChIKey is YXTKINVHCGEKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2/c1-6-3-8(5-10)9(11)4-7(6)2/h3-4H,5H2,1-2H3.
What are the key properties of 1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene?
1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene has a molecular weight of 156.17 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene is sourced from PubChem (CID 118836013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).