1,4-difluoro-2-(fluoromethyl)-3-methylbenzene

C8H7F3 — CID 130885919

IUPAC1,4-difluoro-2-(fluoromethyl)-3-methylbenzene
SMILESCc1c(F)ccc(F)c1CF
InChIInChI=1S/C8H7F3/c1-5-6(4-9)8(11)3-2-7(5)10/h2-3H,4H2,1H3
InChIKeyYQFQKCXZPUJGLO-UHFFFAOYSA-N
MW160.14 g/mol
LogP2.74
Rot. Bonds1

About 1,4-difluoro-2-(fluoromethyl)-3-methylbenzene

1,4-difluoro-2-(fluoromethyl)-3-methylbenzene (PubChem CID 130885919) has the molecular formula C8H7F3 and a molecular weight of 160.14 g/mol. Its IUPAC name is 1,4-difluoro-2-(fluoromethyl)-3-methylbenzene.

Molecular Properties

Compound Name1,4-difluoro-2-(fluoromethyl)-3-methylbenzene
PubChem CID130885919
Molecular FormulaC8H7F3
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name1,4-difluoro-2-(fluoromethyl)-3-methylbenzene
SMILESCc1c(F)ccc(F)c1CF
InChIInChI=1S/C8H7F3/c1-5-6(4-9)8(11)3-2-7(5)10/h2-3H,4H2,1H3
InChIKeyYQFQKCXZPUJGLO-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(6-chloro-3-fluoro-2-methylphenyl)methanol
CID 130839356
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
CID 118830405
(2,4-difluoro-3-methylphenyl)methanamine
CID 11469203
2-(bromomethyl)-1-fluoro-3,4-dimethylbenzene
CID 130925987
4-fluoro-3-methylbenzene-1,2-diamine
CID 22055547
1,2,4,5-tetrafluoro-3-(fluoromethyl)-6-methylbenzene
CID 14423018
6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol
CID 130059268
ethane;1-ethenyl-2-ethyl-4-fluoro-3-methylbenzene
CID 176968104
3,6-difluoro-2-methylphenol
CID 66721696
(3-chloro-6-fluoro-2-methylphenyl)methanol
CID 84766744
1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
CID 118830415
2-chloro-4-fluoro-3-methylaniline
CID 13251510

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-(fluoromethyl)-3-methylbenzene?
The IUPAC name of 1,4-difluoro-2-(fluoromethyl)-3-methylbenzene (CID 130885919) is 1,4-difluoro-2-(fluoromethyl)-3-methylbenzene.
What is the SMILES notation for 1,4-difluoro-2-(fluoromethyl)-3-methylbenzene?
The canonical SMILES for 1,4-difluoro-2-(fluoromethyl)-3-methylbenzene is Cc1c(F)ccc(F)c1CF.
What is the InChIKey of 1,4-difluoro-2-(fluoromethyl)-3-methylbenzene?
The InChIKey is YQFQKCXZPUJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3/c1-5-6(4-9)8(11)3-2-7(5)10/h2-3H,4H2,1H3.
What are the key properties of 1,4-difluoro-2-(fluoromethyl)-3-methylbenzene?
1,4-difluoro-2-(fluoromethyl)-3-methylbenzene has a molecular weight of 160.14 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-(fluoromethyl)-3-methylbenzene is sourced from PubChem (CID 130885919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).