(5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol

C11H7ClF2OS — CID 62661789

IUPAC(5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol
SMILESOC(c1ccc(Cl)s1)c1cccc(F)c1F
InChIInChI=1S/C11H7ClF2OS/c12-9-5-4-8(16-9)11(15)6-2-1-3-7(13)10(6)14/h1-5,11,15H
InChIKeyCGOVHQKHRHXSPC-UHFFFAOYSA-N
MW260.69 g/mol
LogP3.76
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol

(5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol (PubChem CID 62661789) has the molecular formula C11H7ClF2OS and a molecular weight of 260.69 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol
PubChem CID62661789
Molecular FormulaC11H7ClF2OS
Molecular Weight260.69 g/mol
Exact Mass259.99
IUPAC Name(5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol
SMILESOC(c1ccc(Cl)s1)c1cccc(F)c1F
InChIInChI=1S/C11H7ClF2OS/c12-9-5-4-8(16-9)11(15)6-2-1-3-7(13)10(6)14/h1-5,11,15H
InChIKeyCGOVHQKHRHXSPC-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol?
The IUPAC name of (5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol (CID 62661789) is (5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol is OC(c1ccc(Cl)s1)c1cccc(F)c1F.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol?
The InChIKey is CGOVHQKHRHXSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2OS/c12-9-5-4-8(16-9)11(15)6-2-1-3-7(13)10(6)14/h1-5,11,15H.
What are the key properties of (5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol?
(5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol has a molecular weight of 260.69 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2,3-difluorophenyl)methanol is sourced from PubChem (CID 62661789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).