3-(2-fluorophenyl)oxan-2-one

C11H11FO2 — CID 121220239

IUPAC3-(2-fluorophenyl)oxan-2-one
SMILESO=C1OCCCC1c1ccccc1F
InChIInChI=1S/C11H11FO2/c12-10-6-2-1-4-8(10)9-5-3-7-14-11(9)13/h1-2,4,6,9H,3,5,7H2
InChIKeyUDSCAHICKRBFEQ-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.25
Rot. Bonds1

About 3-(2-fluorophenyl)oxan-2-one

3-(2-fluorophenyl)oxan-2-one (PubChem CID 121220239) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-(2-fluorophenyl)oxan-2-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)oxan-2-one
PubChem CID121220239
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name3-(2-fluorophenyl)oxan-2-one
SMILESO=C1OCCCC1c1ccccc1F
InChIInChI=1S/C11H11FO2/c12-10-6-2-1-4-8(10)9-5-3-7-14-11(9)13/h1-2,4,6,9H,3,5,7H2
InChIKeyUDSCAHICKRBFEQ-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenyl)cyclobutan-1-one
CID 129416043
3-(2,3-dimethylphenyl)oxepan-2-one
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(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184835
(2S)-2-(2-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-one
CID 125478212
(3R)-3-(2-fluorophenyl)-2,3-dihydrochromen-4-one
CID 124528047
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982
1-cyclopentyl-2-fluorobenzene
CID 53415938
9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153235
2,3-bis(ethenyl)-4-(2-fluorophenyl)cyclohex-2-en-1-one
CID 91269065
4-(2-fluorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771105
3-(2-fluorophenyl)cyclobutan-1-one
CID 53403957
ethyl 9-fluoro-2,3,4,5-tetrahydro-1-benzoxepine-5-carboxylate
CID 82243513

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)oxan-2-one?
The IUPAC name of 3-(2-fluorophenyl)oxan-2-one (CID 121220239) is 3-(2-fluorophenyl)oxan-2-one.
What is the SMILES notation for 3-(2-fluorophenyl)oxan-2-one?
The canonical SMILES for 3-(2-fluorophenyl)oxan-2-one is O=C1OCCCC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)oxan-2-one?
The InChIKey is UDSCAHICKRBFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-10-6-2-1-4-8(10)9-5-3-7-14-11(9)13/h1-2,4,6,9H,3,5,7H2.
What are the key properties of 3-(2-fluorophenyl)oxan-2-one?
3-(2-fluorophenyl)oxan-2-one has a molecular weight of 194.21 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)oxan-2-one is sourced from PubChem (CID 121220239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).