2-(fluoromethyl)-1,4-dimethylbenzene

C9H11F — CID 15724447

IUPAC2-(fluoromethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CF)c1
InChIInChI=1S/C9H11F/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3
InChIKeyGAROTQAQUBYTJU-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.77
Rot. Bonds1

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

2-(fluoromethyl)-1,4-dimethylbenzene (PubChem CID 15724447) has the molecular formula C9H11F and a molecular weight of 138.18 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(fluoromethyl)-1,4-dimethylbenzene
PubChem CID15724447
Molecular FormulaC9H11F
Molecular Weight138.18 g/mol
Exact Mass138.08
IUPAC Name2-(fluoromethyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(CF)c1
InChIInChI=1S/C9H11F/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3
InChIKeyGAROTQAQUBYTJU-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 68591460
CID 68591460
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430
1,4-dimethyl-2-(methylsulfanylmethyl)benzene
CID 11768926
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
CID 68534782
CID 68534782
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
CID 91883597
(2,5-dimethylphenyl)methanol;bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 158726026

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(fluoromethyl)-1,4-dimethylbenzene (CID 15724447) is 2-(fluoromethyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(fluoromethyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(fluoromethyl)-1,4-dimethylbenzene is Cc1ccc(C)c(CF)c1.
What is the InChIKey of 2-(fluoromethyl)-1,4-dimethylbenzene?
The InChIKey is GAROTQAQUBYTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F/c1-7-3-4-8(2)9(5-7)6-10/h3-5H,6H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-1,4-dimethylbenzene?
2-(fluoromethyl)-1,4-dimethylbenzene has a molecular weight of 138.18 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,4-dimethylbenzene is sourced from PubChem (CID 15724447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).