(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol

C11H7Cl2FOS — CID 80530486

IUPAC(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
SMILESOC(c1ccc(Cl)cc1F)c1sccc1Cl
InChIInChI=1S/C11H7Cl2FOS/c12-6-1-2-7(9(14)5-6)10(15)11-8(13)3-4-16-11/h1-5,10,15H
InChIKeyFKALSXHKWJBYDD-UHFFFAOYSA-N
MW277.15 g/mol
LogP4.28
Rot. Bonds2

About (4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol

(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol (PubChem CID 80530486) has the molecular formula C11H7Cl2FOS and a molecular weight of 277.15 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
PubChem CID80530486
Molecular FormulaC11H7Cl2FOS
Molecular Weight277.15 g/mol
Exact Mass275.96
IUPAC Name(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
SMILESOC(c1ccc(Cl)cc1F)c1sccc1Cl
InChIInChI=1S/C11H7Cl2FOS/c12-6-1-2-7(9(14)5-6)10(15)11-8(13)3-4-16-11/h1-5,10,15H
InChIKeyFKALSXHKWJBYDD-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80529355
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878
(2-bromo-5-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 107359087
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
(4-chloro-2,5-difluorophenyl)-(3-methylthiophen-2-yl)methanol
CID 82773068
(3-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanol
CID 80535916
(2-chloro-5-fluorophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 105394068
(5-bromo-2-chlorophenyl)-(3-chlorothiophen-2-yl)methanol
CID 80530430
(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanol
CID 80530277
(4-bromothiophen-3-yl)-(3-chlorothiophen-2-yl)methanol
CID 115820110
(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol
CID 105119916
2-(4-chloro-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105055486

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol (CID 80530486) is (4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol is OC(c1ccc(Cl)cc1F)c1sccc1Cl.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol?
The InChIKey is FKALSXHKWJBYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FOS/c12-6-1-2-7(9(14)5-6)10(15)11-8(13)3-4-16-11/h1-5,10,15H.
What are the key properties of (4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol?
(4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol has a molecular weight of 277.15 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(3-chlorothiophen-2-yl)methanol is sourced from PubChem (CID 80530486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).