4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene

C9H9F3O — CID 20705742

IUPAC4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene
SMILESCOC(F)(F)c1ccc(C)c(F)c1
InChIInChI=1S/C9H9F3O/c1-6-3-4-7(5-8(6)10)9(11,12)13-2/h3-5H,1-2H3
InChIKeyVJLDBACBUHICDW-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.83
Rot. Bonds2

About 4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene

4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene (PubChem CID 20705742) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene.

Molecular Properties

Compound Name4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene
PubChem CID20705742
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene
SMILESCOC(F)(F)c1ccc(C)c(F)c1
InChIInChI=1S/C9H9F3O/c1-6-3-4-7(5-8(6)10)9(11,12)13-2/h3-5H,1-2H3
InChIKeyVJLDBACBUHICDW-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 79005020
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;1,2-xylene
CID 168993279
2-(3-fluoro-4-methylphenyl)-4-methoxybutan-2-amine
CID 107128253
4-[difluoro-[4-(4-methylphenyl)phenyl]methoxy]-2-fluoro-1-methylbenzene
CID 21353267
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene
CID 145466180
2-(3-fluoro-4-methylphenyl)-3-methylbutan-2-ol
CID 58481777
4-[2-(3-fluoro-4-methylphenyl)propan-2-yloxy]aniline
CID 126491653
4-[difluoro-(4-propylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 59933487
(1R)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051317
(1S)-1-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethanol
CID 97051318
4-(3-fluoro-4-methylphenyl)-4-methylpentan-2-ol
CID 107129477
1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;4-[difluoro-(4-methylphenyl)methoxy]-2-fluoro-1-methylbenzene
CID 143266126

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene?
The IUPAC name of 4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene (CID 20705742) is 4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene.
What is the SMILES notation for 4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene?
The canonical SMILES for 4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene is COC(F)(F)c1ccc(C)c(F)c1.
What is the InChIKey of 4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene?
The InChIKey is VJLDBACBUHICDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-6-3-4-7(5-8(6)10)9(11,12)13-2/h3-5H,1-2H3.
What are the key properties of 4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene?
4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene has a molecular weight of 190.16 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(methoxy)methyl]-2-fluoro-1-methylbenzene is sourced from PubChem (CID 20705742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).