(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone

C11H5Cl2FO2 — CID 106691354

IUPAC(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
SMILESO=C(c1cc(F)ccc1Cl)c1ccoc1Cl
InChIInChI=1S/C11H5Cl2FO2/c12-9-2-1-6(14)5-8(9)10(15)7-3-4-16-11(7)13/h1-5H
InChIKeyIBQDGKWNCQZSAR-UHFFFAOYSA-N
MW259.06 g/mol
LogP3.96
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone

(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone (PubChem CID 106691354) has the molecular formula C11H5Cl2FO2 and a molecular weight of 259.06 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
PubChem CID106691354
Molecular FormulaC11H5Cl2FO2
Molecular Weight259.06 g/mol
Exact Mass257.97
IUPAC Name(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
SMILESO=C(c1cc(F)ccc1Cl)c1ccoc1Cl
InChIInChI=1S/C11H5Cl2FO2/c12-9-2-1-6(14)5-8(9)10(15)7-3-4-16-11(7)13/h1-5H
InChIKeyIBQDGKWNCQZSAR-UHFFFAOYSA-N
XLogP3.96
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.06
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorofuran-3-yl)-(3,4-difluorophenyl)methanone
CID 106683705
2-chloro-N-(2,4-difluorophenyl)furan-3-carboxamide
CID 106685284
(2-bromophenyl)-(2-chloro-5-fluorophenyl)methanone
CID 105394203
(2-chloro-5-fluorophenyl)-quinolin-4-ylmethanone
CID 105396628
2-chloro-5-fluoro-N-hydroxybenzamide
CID 130688031
N-(2-amino-5-fluorophenyl)-2-chlorofuran-3-carboxamide
CID 106683261
1-(2-chlorofuran-3-yl)-2-(4-fluorophenyl)ethanone
CID 106687670
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
(2-chloro-5-fluorophenyl)-pyridazin-4-ylmethanone
CID 105396670
(2-chloro-5-fluorophenyl)-(6-chloro-3-pyridinyl)methanone
CID 105394341
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128
(2-chloro-5-fluorophenyl)-(thiadiazol-5-yl)methanone
CID 105396790

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone (CID 106691354) is (2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone is O=C(c1cc(F)ccc1Cl)c1ccoc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone?
The InChIKey is IBQDGKWNCQZSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2FO2/c12-9-2-1-6(14)5-8(9)10(15)7-3-4-16-11(7)13/h1-5H.
What are the key properties of (2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone?
(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone has a molecular weight of 259.06 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone is sourced from PubChem (CID 106691354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).