(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol

C11H8ClFOS — CID 95011849

IUPAC(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
SMILESO[C@@H](c1ccc(F)c(Cl)c1)c1cccs1
InChIInChI=1S/C11H8ClFOS/c12-8-6-7(3-4-9(8)13)11(14)10-2-1-5-15-10/h1-6,11,14H/t11-/m0/s1
InChIKeyCYPJWIZIDOAGJT-NSHDSACASA-N
MW242.70 g/mol
LogP3.62
Rot. Bonds2

About (S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol

(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol (PubChem CID 95011849) has the molecular formula C11H8ClFOS and a molecular weight of 242.70 g/mol. Its IUPAC name is (S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
PubChem CID95011849
Molecular FormulaC11H8ClFOS
Molecular Weight242.70 g/mol
Exact Mass242.00
IUPAC Name(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
SMILESO[C@@H](c1ccc(F)c(Cl)c1)c1cccs1
InChIInChI=1S/C11H8ClFOS/c12-8-6-7(3-4-9(8)13)11(14)10-2-1-5-15-10/h1-6,11,14H/t11-/m0/s1
InChIKeyCYPJWIZIDOAGJT-NSHDSACASA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(3-chloro-4-fluorophenyl)-(5-methylthiophen-2-yl)methanol
CID 97001534
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764385
1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 63773688
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(3-bromo-4-fluorophenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879548
[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
CID 115527711
(S)-(3-chloro-4-fluorophenyl)-(furan-2-yl)methanol
CID 95256736
2-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 61086178
(3-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanol
CID 63094000
(3,4-diethylphenyl)-thiophen-2-ylmethanol
CID 115482624
(R)-(3-chloro-4-fluorophenyl)-(furan-3-yl)methanol
CID 95256733

Frequently Asked Questions

What is the IUPAC name of (S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol?
The IUPAC name of (S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol (CID 95011849) is (S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol.
What is the SMILES notation for (S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol?
The canonical SMILES for (S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol is O[C@@H](c1ccc(F)c(Cl)c1)c1cccs1.
What is the InChIKey of (S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol?
The InChIKey is CYPJWIZIDOAGJT-NSHDSACASA-N. The full InChI is InChI=1S/C11H8ClFOS/c12-8-6-7(3-4-9(8)13)11(14)10-2-1-5-15-10/h1-6,11,14H/t11-/m0/s1.
What are the key properties of (S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol?
(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol has a molecular weight of 242.70 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol is sourced from PubChem (CID 95011849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).