(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone

C12H8F2O2 — CID 43462661

IUPAC(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H8F2O2/c1-7-9(4-5-16-7)12(15)10-3-2-8(13)6-11(10)14/h2-6H,1H3
InChIKeyLJRSUMSGQXJAFU-UHFFFAOYSA-N
MW222.19 g/mol
LogP3.10
Rot. Bonds2

About (2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone

(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone (PubChem CID 43462661) has the molecular formula C12H8F2O2 and a molecular weight of 222.19 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone
PubChem CID43462661
Molecular FormulaC12H8F2O2
Molecular Weight222.19 g/mol
Exact Mass222.05
IUPAC Name(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H8F2O2/c1-7-9(4-5-16-7)12(15)10-3-2-8(13)6-11(10)14/h2-6H,1H3
InChIKeyLJRSUMSGQXJAFU-UHFFFAOYSA-N
XLogP3.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1H-indol-3-yl)-(2-methylfuran-3-yl)methanone
CID 63850617
(2,4-difluoro-5-methylphenyl)-(2,4-difluorophenyl)methanone
CID 79731832
1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43138932
(2,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161425
(E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile
CID 9366758
(2,4-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 113229974
(2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79802242
(2-bromo-4-fluorophenyl)-(2,4-difluorophenyl)methanone
CID 43160008
(2-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone;ethane
CID 142346677
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853
(4-chloro-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 55181742
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone (CID 43462661) is (2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone?
The InChIKey is LJRSUMSGQXJAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2/c1-7-9(4-5-16-7)12(15)10-3-2-8(13)6-11(10)14/h2-6H,1H3.
What are the key properties of (2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone?
(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone has a molecular weight of 222.19 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 43462661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).