(5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone

C12H8ClFO2 — CID 106690980

IUPAC(5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C12H8ClFO2/c1-7-2-3-8(14)6-9(7)12(15)10-4-5-11(13)16-10/h2-6H,1H3
InChIKeyXYQHEJXTPOCJPU-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.61
Rot. Bonds2

About (5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone

(5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 106690980) has the molecular formula C12H8ClFO2 and a molecular weight of 238.65 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID106690980
Molecular FormulaC12H8ClFO2
Molecular Weight238.65 g/mol
Exact Mass238.02
IUPAC Name(5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C12H8ClFO2/c1-7-2-3-8(14)6-9(7)12(15)10-4-5-11(13)16-10/h2-6H,1H3
InChIKeyXYQHEJXTPOCJPU-UHFFFAOYSA-N
XLogP3.61
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanone
CID 106690978
(5-chlorofuran-2-yl)-(2,3-dimethylphenyl)methanone
CID 106690970
(2-chloro-3-fluorophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 112694145
(5-chlorofuran-2-yl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 106683883
(5-bromofuran-2-yl)-(2,5-dimethylphenyl)methanone
CID 43462525
(5-chlorofuran-2-yl)-(2,4-dichlorophenyl)methanone
CID 106683803
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
(5-fluoro-2-methoxyphenyl)-(5-methylfuran-2-yl)methanone
CID 43463289
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone (CID 106690980) is (5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)c1ccc(Cl)o1.
What is the InChIKey of (5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is XYQHEJXTPOCJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO2/c1-7-2-3-8(14)6-9(7)12(15)10-4-5-11(13)16-10/h2-6H,1H3.
What are the key properties of (5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone?
(5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 238.65 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 106690980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).