1-fluoro-4-(methoxymethyl)benzene

C8H9FO — CID 11083966

IUPAC1-fluoro-4-(methoxymethyl)benzene
SMILESCOCc1ccc(F)cc1
InChIInChI=1S/C8H9FO/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3
InChIKeyLZRCZEHBKACUNZ-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.97
Rot. Bonds2

About 1-fluoro-4-(methoxymethyl)benzene

1-fluoro-4-(methoxymethyl)benzene (PubChem CID 11083966) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is 1-fluoro-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(methoxymethyl)benzene
PubChem CID11083966
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name1-fluoro-4-(methoxymethyl)benzene
SMILESCOCc1ccc(F)cc1
InChIInChI=1S/C8H9FO/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3
InChIKeyLZRCZEHBKACUNZ-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(methoxymethyl)benzene?
The IUPAC name of 1-fluoro-4-(methoxymethyl)benzene (CID 11083966) is 1-fluoro-4-(methoxymethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(methoxymethyl)benzene?
The canonical SMILES for 1-fluoro-4-(methoxymethyl)benzene is COCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(methoxymethyl)benzene?
The InChIKey is LZRCZEHBKACUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO/c1-10-6-7-2-4-8(9)5-3-7/h2-5H,6H2,1H3.
What are the key properties of 1-fluoro-4-(methoxymethyl)benzene?
1-fluoro-4-(methoxymethyl)benzene has a molecular weight of 140.16 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(methoxymethyl)benzene is sourced from PubChem (CID 11083966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).