(3-fluorophenyl)-(2-methylfuran-3-yl)methanone

C12H9FO2 — CID 104789310

IUPAC(3-fluorophenyl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1cccc(F)c1
InChIInChI=1S/C12H9FO2/c1-8-11(5-6-15-8)12(14)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyJTAYQWATGXGECS-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.96
Rot. Bonds2

About (3-fluorophenyl)-(2-methylfuran-3-yl)methanone

(3-fluorophenyl)-(2-methylfuran-3-yl)methanone (PubChem CID 104789310) has the molecular formula C12H9FO2 and a molecular weight of 204.20 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-methylfuran-3-yl)methanone
PubChem CID104789310
Molecular FormulaC12H9FO2
Molecular Weight204.20 g/mol
Exact Mass204.06
IUPAC Name(3-fluorophenyl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1cccc(F)c1
InChIInChI=1S/C12H9FO2/c1-8-11(5-6-15-8)12(14)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyJTAYQWATGXGECS-UHFFFAOYSA-N
XLogP2.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[4-(2-methylfuran-3-carbonyl)piperazin-1-yl]methanone
CID 32523344
(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone
CID 43462661
(3-cyclobutylphenyl)-(2-methylfuran-3-yl)methanone
CID 114602102
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843
furan-3-yl-(2-methylfuran-3-yl)methanone
CID 104789242
(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104789248
(5-fluoro-1H-indol-3-yl)-(2-methylfuran-3-yl)methanone
CID 63850617
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
2-(3-fluorobenzoyl)benzaldehyde
CID 175472655
(2-amino-4-bromophenyl)-(3-fluorophenyl)methanone
CID 116591874

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(2-methylfuran-3-yl)methanone (CID 104789310) is (3-fluorophenyl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(2-methylfuran-3-yl)methanone?
The InChIKey is JTAYQWATGXGECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2/c1-8-11(5-6-15-8)12(14)9-3-2-4-10(13)7-9/h2-7H,1H3.
What are the key properties of (3-fluorophenyl)-(2-methylfuran-3-yl)methanone?
(3-fluorophenyl)-(2-methylfuran-3-yl)methanone has a molecular weight of 204.20 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 104789310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).