(2-fluoro-1-methoxyethyl)benzene

C9H11FO — CID 12700785

IUPAC(2-fluoro-1-methoxyethyl)benzene
SMILESCOC(CF)c1ccccc1
InChIInChI=1S/C9H11FO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyAWXITOXZJJEXIZ-UHFFFAOYSA-N
MW154.18 g/mol
LogP2.34
Rot. Bonds3

About (2-fluoro-1-methoxyethyl)benzene

(2-fluoro-1-methoxyethyl)benzene (PubChem CID 12700785) has the molecular formula C9H11FO and a molecular weight of 154.18 g/mol. Its IUPAC name is (2-fluoro-1-methoxyethyl)benzene.

Molecular Properties

Compound Name(2-fluoro-1-methoxyethyl)benzene
PubChem CID12700785
Molecular FormulaC9H11FO
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC Name(2-fluoro-1-methoxyethyl)benzene
SMILESCOC(CF)c1ccccc1
InChIInChI=1S/C9H11FO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyAWXITOXZJJEXIZ-UHFFFAOYSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-methoxyethyl)benzene?
The IUPAC name of (2-fluoro-1-methoxyethyl)benzene (CID 12700785) is (2-fluoro-1-methoxyethyl)benzene.
What is the SMILES notation for (2-fluoro-1-methoxyethyl)benzene?
The canonical SMILES for (2-fluoro-1-methoxyethyl)benzene is COC(CF)c1ccccc1.
What is the InChIKey of (2-fluoro-1-methoxyethyl)benzene?
The InChIKey is AWXITOXZJJEXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO/c1-11-9(7-10)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of (2-fluoro-1-methoxyethyl)benzene?
(2-fluoro-1-methoxyethyl)benzene has a molecular weight of 154.18 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methoxyethyl)benzene is sourced from PubChem (CID 12700785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).