2,2-difluoro-2-(furan-2-yl)-1-phenylethanone

C12H8F2O2 — CID 12990231

IUPAC2,2-difluoro-2-(furan-2-yl)-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)(F)c1ccco1
InChIInChI=1S/C12H8F2O2/c13-12(14,10-7-4-8-16-10)11(15)9-5-2-1-3-6-9/h1-8H
InChIKeyDQUSRFQKLHFEGP-UHFFFAOYSA-N
MW222.19 g/mol
LogP3.25
Rot. Bonds3

About 2,2-difluoro-2-(furan-2-yl)-1-phenylethanone

2,2-difluoro-2-(furan-2-yl)-1-phenylethanone (PubChem CID 12990231) has the molecular formula C12H8F2O2 and a molecular weight of 222.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(furan-2-yl)-1-phenylethanone.

Molecular Properties

Compound Name2,2-difluoro-2-(furan-2-yl)-1-phenylethanone
PubChem CID12990231
Molecular FormulaC12H8F2O2
Molecular Weight222.19 g/mol
Exact Mass222.05
IUPAC Name2,2-difluoro-2-(furan-2-yl)-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)(F)c1ccco1
InChIInChI=1S/C12H8F2O2/c13-12(14,10-7-4-8-16-10)11(15)9-5-2-1-3-6-9/h1-8H
InChIKeyDQUSRFQKLHFEGP-UHFFFAOYSA-N
XLogP3.25
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzofuran
CID 9223
1-(3-Furyl)-4-methyl-1-pentanone
CID 68381
Ethyl 2-phenyl-3-furoate
CID 62007
3-(5-Methyl-2-furyl)butanal
CID 3578033
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
2-(2-Furfuryl)furan
CID 70972
Benzaldehyde, 2-ethoxy-
CID 11950
2,5-Diphenylfuran
CID 70387
Acrylophenone, 3-(2-furyl)-
CID 5354164
2-(Benzyloxy)benzaldehyde
CID 344784
5-(4-Fluoro-phenyl)-furan-2-carbaldehyde
CID 766117
Ipomeanine
CID 100689

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(furan-2-yl)-1-phenylethanone?
The IUPAC name of 2,2-difluoro-2-(furan-2-yl)-1-phenylethanone (CID 12990231) is 2,2-difluoro-2-(furan-2-yl)-1-phenylethanone.
What is the SMILES notation for 2,2-difluoro-2-(furan-2-yl)-1-phenylethanone?
The canonical SMILES for 2,2-difluoro-2-(furan-2-yl)-1-phenylethanone is O=C(c1ccccc1)C(F)(F)c1ccco1.
What is the InChIKey of 2,2-difluoro-2-(furan-2-yl)-1-phenylethanone?
The InChIKey is DQUSRFQKLHFEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2/c13-12(14,10-7-4-8-16-10)11(15)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 2,2-difluoro-2-(furan-2-yl)-1-phenylethanone?
2,2-difluoro-2-(furan-2-yl)-1-phenylethanone has a molecular weight of 222.19 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(furan-2-yl)-1-phenylethanone is sourced from PubChem (CID 12990231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).