2-(3-chloro-4-fluorophenyl)-5-ethylfuran

C12H10ClFO — CID 122487992

IUPAC2-(3-chloro-4-fluorophenyl)-5-ethylfuran
SMILESCCc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C12H10ClFO/c1-2-9-4-6-12(15-9)8-3-5-11(14)10(13)7-8/h3-7H,2H2,1H3
InChIKeyDVRGZYXSDYEJIK-UHFFFAOYSA-N
MW224.66 g/mol
LogP4.30
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-5-ethylfuran

2-(3-chloro-4-fluorophenyl)-5-ethylfuran (PubChem CID 122487992) has the molecular formula C12H10ClFO and a molecular weight of 224.66 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-ethylfuran.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-ethylfuran
PubChem CID122487992
Molecular FormulaC12H10ClFO
Molecular Weight224.66 g/mol
Exact Mass224.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-ethylfuran
SMILESCCc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C12H10ClFO/c1-2-9-4-6-12(15-9)8-3-5-11(14)10(13)7-8/h3-7H,2H2,1H3
InChIKeyDVRGZYXSDYEJIK-UHFFFAOYSA-N
XLogP4.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-Chlorophenyl)-2-furanpropionic acid
CID 808119
2-[5-(4-Chlorophenyl)-2-furyl]ethanol
CID 745896
5-(3-Chlorophenyl)furfural
CID 609822
3-(5-(4-Chlorophenyl)furan-2-yl)acrylic acid
CID 677287
(5-(3-Chlorophenyl)-2-furyl)methanol
CID 720975
1-{4-[(3-Chlorobenzyl)oxy]phenyl}ethanone
CID 13340061
5-(3-Chloro-2-Methylphenyl)-2-Furaldehyde
CID 700305
Diethyl 2-((5-(4-chlorophenyl)furan-2-yl)methylene)malonate
CID 2130365
(4Z)-4-[[5-(3-chlorophenyl)-2-furanyl]methylidene]-3-methyl-5-isoxazolone
CID 9550331
(2E)-3-(3-Chlorophenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
CID 18093825
2-(3-Chlorophenyl)-6-fluoro-4H-chromen-4-one
CID 44299083
(2E)-1-(3-Chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 71818857

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-ethylfuran?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-ethylfuran (CID 122487992) is 2-(3-chloro-4-fluorophenyl)-5-ethylfuran.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-ethylfuran?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-ethylfuran is CCc1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-ethylfuran?
The InChIKey is DVRGZYXSDYEJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO/c1-2-9-4-6-12(15-9)8-3-5-11(14)10(13)7-8/h3-7H,2H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-ethylfuran?
2-(3-chloro-4-fluorophenyl)-5-ethylfuran has a molecular weight of 224.66 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-ethylfuran is sourced from PubChem (CID 122487992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).