1-fluoro-4-methoxybenzene

C7H7FO — CID 9987

IUPAC1-fluoro-4-methoxybenzene
SMILESCOc1ccc(F)cc1
InChIInChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyVIPWUFMFHBIKQI-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.83
Rot. Bonds1

About 1-fluoro-4-methoxybenzene

1-fluoro-4-methoxybenzene (PubChem CID 9987) has the molecular formula C7H7FO and a molecular weight of 126.13 g/mol. Its IUPAC name is 1-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-fluoro-4-methoxybenzene
PubChem CID9987
Molecular FormulaC7H7FO
Molecular Weight126.13 g/mol
Exact Mass126.05
IUPAC Name1-fluoro-4-methoxybenzene
SMILESCOc1ccc(F)cc1
InChIInChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKeyVIPWUFMFHBIKQI-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxybenzene?
The IUPAC name of 1-fluoro-4-methoxybenzene (CID 9987) is 1-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-fluoro-4-methoxybenzene?
The canonical SMILES for 1-fluoro-4-methoxybenzene is COc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-methoxybenzene?
The InChIKey is VIPWUFMFHBIKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3.
What are the key properties of 1-fluoro-4-methoxybenzene?
1-fluoro-4-methoxybenzene has a molecular weight of 126.13 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxybenzene is sourced from PubChem (CID 9987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).