2-fluoro-1-phenylethanone

C8H7FO — CID 9947

IUPAC2-fluoro-1-phenylethanone
SMILESO=C(CF)c1ccccc1
InChIInChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYOMBUJAFGMOIGS-UHFFFAOYSA-N
MW138.14 g/mol
LogP1.84
Rot. Bonds2

About 2-fluoro-1-phenylethanone

2-fluoro-1-phenylethanone (PubChem CID 9947) has the molecular formula C8H7FO and a molecular weight of 138.14 g/mol. Its IUPAC name is 2-fluoro-1-phenylethanone.

Molecular Properties

Compound Name2-fluoro-1-phenylethanone
PubChem CID9947
Molecular FormulaC8H7FO
Molecular Weight138.14 g/mol
Exact Mass138.05
IUPAC Name2-fluoro-1-phenylethanone
SMILESO=C(CF)c1ccccc1
InChIInChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYOMBUJAFGMOIGS-UHFFFAOYSA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenylethanone?
The IUPAC name of 2-fluoro-1-phenylethanone (CID 9947) is 2-fluoro-1-phenylethanone.
What is the SMILES notation for 2-fluoro-1-phenylethanone?
The canonical SMILES for 2-fluoro-1-phenylethanone is O=C(CF)c1ccccc1.
What is the InChIKey of 2-fluoro-1-phenylethanone?
The InChIKey is YOMBUJAFGMOIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-fluoro-1-phenylethanone?
2-fluoro-1-phenylethanone has a molecular weight of 138.14 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenylethanone is sourced from PubChem (CID 9947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).