2-fluoroacetic acid;1-phenylethanone

C10H11FO3 — CID 174359405

IUPAC2-fluoroacetic acid;1-phenylethanone
SMILESCC(=O)c1ccccc1.O=C(O)CF
InChIInChI=1S/C8H8O.C2H3FO2/c1-7(9)8-5-3-2-4-6-8;3-1-2(4)5/h2-6H,1H3;1H2,(H,4,5)
InChIKeyZQAXWXMOJWRLFT-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.93
Rot. Bonds2

About 2-fluoroacetic acid;1-phenylethanone

2-fluoroacetic acid;1-phenylethanone (PubChem CID 174359405) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-fluoroacetic acid;1-phenylethanone.

Molecular Properties

Compound Name2-fluoroacetic acid;1-phenylethanone
PubChem CID174359405
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-fluoroacetic acid;1-phenylethanone
SMILESCC(=O)c1ccccc1.O=C(O)CF
InChIInChI=1S/C8H8O.C2H3FO2/c1-7(9)8-5-3-2-4-6-8;3-1-2(4)5/h2-6H,1H3;1H2,(H,4,5)
InChIKeyZQAXWXMOJWRLFT-UHFFFAOYSA-N
XLogP1.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201
1-phenylethanone;hydrate;hydrochloride
CID 21258111
ethane;1-phenylethanone;propan-2-one
CID 91456675
CID 173404741
CID 173404741
3-oxobutanoic acid;1-phenylethanone
CID 67450141
ethane;2-(18F)fluoroethanethiol;(18F)fluoromethanethiol;1-phenylethanone
CID 158020784
ethane;molecular hydrogen;1-phenylethanone
CID 143067772
hexane;1-phenylethanone
CID 160797049

Frequently Asked Questions

What is the IUPAC name of 2-fluoroacetic acid;1-phenylethanone?
The IUPAC name of 2-fluoroacetic acid;1-phenylethanone (CID 174359405) is 2-fluoroacetic acid;1-phenylethanone.
What is the SMILES notation for 2-fluoroacetic acid;1-phenylethanone?
The canonical SMILES for 2-fluoroacetic acid;1-phenylethanone is CC(=O)c1ccccc1.O=C(O)CF.
What is the InChIKey of 2-fluoroacetic acid;1-phenylethanone?
The InChIKey is ZQAXWXMOJWRLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C2H3FO2/c1-7(9)8-5-3-2-4-6-8;3-1-2(4)5/h2-6H,1H3;1H2,(H,4,5).
What are the key properties of 2-fluoroacetic acid;1-phenylethanone?
2-fluoroacetic acid;1-phenylethanone has a molecular weight of 198.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroacetic acid;1-phenylethanone is sourced from PubChem (CID 174359405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).