(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone

C11H4Cl3FOS — CID 107998276

IUPAC(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4Cl3FOS/c12-7-2-1-5(3-8(7)15)10(16)6-4-9(13)17-11(6)14/h1-4H
InChIKeyULFNDIQADFVETJ-UHFFFAOYSA-N
MW309.58 g/mol
LogP5.08
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone

(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 107998276) has the molecular formula C11H4Cl3FOS and a molecular weight of 309.58 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID107998276
Molecular FormulaC11H4Cl3FOS
Molecular Weight309.58 g/mol
Exact Mass307.90
IUPAC Name(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1ccc(Cl)c(F)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4Cl3FOS/c12-7-2-1-5(3-8(7)15)10(16)6-4-9(13)17-11(6)14/h1-4H
InChIKeyULFNDIQADFVETJ-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone
CID 43344745
(2,5-dichlorothiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43344718
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43248312
4-chloro-3-fluorobenzoic acid
CID 2736536
(4-chloro-3-fluorophenyl)-(6-chloro-1H-indol-3-yl)methanone
CID 107998272
1-benzothiophen-3-yl-(4-chloro-3-fluorophenyl)methanone
CID 107998244
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone (CID 107998276) is (4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1ccc(Cl)c(F)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is ULFNDIQADFVETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3FOS/c12-7-2-1-5(3-8(7)15)10(16)6-4-9(13)17-11(6)14/h1-4H.
What are the key properties of (4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 309.58 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 107998276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).