1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene

C9H10F2O2 — CID 118830405

IUPAC1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
SMILESCOc1ccc(F)c(CF)c1OC
InChIInChI=1S/C9H10F2O2/c1-12-8-4-3-7(11)6(5-10)9(8)13-2/h3-4H,5H2,1-2H3
InChIKeyBESJXRCDYSFITA-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.31
Rot. Bonds3

About 1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene

1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene (PubChem CID 118830405) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene.

Molecular Properties

Compound Name1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
PubChem CID118830405
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
SMILESCOc1ccc(F)c(CF)c1OC
InChIInChI=1S/C9H10F2O2/c1-12-8-4-3-7(11)6(5-10)9(8)13-2/h3-4H,5H2,1-2H3
InChIKeyBESJXRCDYSFITA-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoro-2,3-dimethoxyphenyl)propan-1-amine
CID 117304223
4-(6-fluoro-2,3-dimethoxyphenyl)butan-1-amine
CID 117327075
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
3-(chloromethyl)-1-fluoro-2,4-dimethoxybenzene
CID 130954694
2-(2,6-difluoro-3-methoxyphenyl)ethanamine
CID 10797664
1-(3-fluoro-2,6-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117327192
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
1-(fluoromethyl)-3-iodo-2,4-dimethoxybenzene
CID 130934965
3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290010
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
3-(6-chloro-2,3-dimethoxyphenyl)propan-1-amine
CID 117331594

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene?
The IUPAC name of 1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene (CID 118830405) is 1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene.
What is the SMILES notation for 1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene?
The canonical SMILES for 1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene is COc1ccc(F)c(CF)c1OC.
What is the InChIKey of 1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene?
The InChIKey is BESJXRCDYSFITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-12-8-4-3-7(11)6(5-10)9(8)13-2/h3-4H,5H2,1-2H3.
What are the key properties of 1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene?
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene has a molecular weight of 188.17 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene is sourced from PubChem (CID 118830405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).