2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane

C9H11F3O — CID 91055854

IUPAC2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
SMILESCF.Cc1ccc(OCF)cc1F
InChIInChI=1S/C8H8F2O.CH3F/c1-6-2-3-7(11-5-9)4-8(6)10;1-2/h2-4H,5H2,1H3;1H3
InChIKeyCJAGYGVBKJTJRE-UHFFFAOYSA-N
MW192.18 g/mol
LogP3.03
Rot. Bonds2

About 2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane

2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane (PubChem CID 91055854) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane.

Molecular Properties

Compound Name2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
PubChem CID91055854
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
SMILESCF.Cc1ccc(OCF)cc1F
InChIInChI=1S/C8H8F2O.CH3F/c1-6-2-3-7(11-5-9)4-8(6)10;1-2/h2-4H,5H2,1H3;1H3
InChIKeyCJAGYGVBKJTJRE-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
2,4-bis(fluoromethoxy)-1-methylbenzene
CID 57232585
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422
9-(3-fluoro-4-methylphenoxy)nonane-1-thiol
CID 107171679
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine
CID 107170915

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane?
The IUPAC name of 2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane (CID 91055854) is 2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane.
What is the SMILES notation for 2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane?
The canonical SMILES for 2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane is CF.Cc1ccc(OCF)cc1F.
What is the InChIKey of 2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane?
The InChIKey is CJAGYGVBKJTJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O.CH3F/c1-6-2-3-7(11-5-9)4-8(6)10;1-2/h2-4H,5H2,1H3;1H3.
What are the key properties of 2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane?
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane has a molecular weight of 192.18 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane is sourced from PubChem (CID 91055854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).