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

C11H4Cl3FOS — CID 43344763

IUPAC(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4Cl3FOS/c12-8-3-5(15)1-2-6(8)10(16)7-4-9(13)17-11(7)14/h1-4H
InChIKeyVVBVYKAMNPIMRH-UHFFFAOYSA-N
MW309.58 g/mol
LogP5.08
Rot. Bonds2

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

(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 43344763) has the molecular formula C11H4Cl3FOS and a molecular weight of 309.58 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID43344763
Molecular FormulaC11H4Cl3FOS
Molecular Weight309.58 g/mol
Exact Mass307.90
IUPAC Name(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1ccc(F)cc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4Cl3FOS/c12-8-3-5(15)1-2-6(8)10(16)7-4-9(13)17-11(7)14/h1-4H
InChIKeyVVBVYKAMNPIMRH-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)-(6-fluoro-1-benzothiophen-2-yl)methanone
CID 81104851
(2,5-dichlorothiophen-3-yl)-(5-fluoro-1H-indol-3-yl)methanone
CID 107960033
(2-chloro-4-fluorophenyl)-(2,5-dibromothiophen-3-yl)methanone
CID 43344961
(2,5-dichlorothiophen-3-yl)-(3,5-difluorophenyl)methanone
CID 43344745
(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107998276
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987
(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949791
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone (CID 43344763) is (2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1ccc(F)cc1Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is VVBVYKAMNPIMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3FOS/c12-8-3-5(15)1-2-6(8)10(16)7-4-9(13)17-11(7)14/h1-4H.
What are the key properties of (2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
(2-chloro-4-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 (2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 43344763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).