(4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C13H11ClFNS — CID 138556109

IUPAC(4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1ccc([C@H]2NCCc3sc(Cl)cc32)cc1
InChIInChI=1S/C13H11ClFNS/c14-12-7-10-11(17-12)5-6-16-13(10)8-1-3-9(15)4-2-8/h1-4,7,13,16H,5-6H2/t13-/m1/s1
InChIKeyHKTICMNIBXJRCP-CYBMUJFWSA-N
MW267.76 g/mol
LogP3.78
Rot. Bonds1

About (4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

(4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 138556109) has the molecular formula C13H11ClFNS and a molecular weight of 267.76 g/mol. Its IUPAC name is (4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name(4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID138556109
Molecular FormulaC13H11ClFNS
Molecular Weight267.76 g/mol
Exact Mass267.03
IUPAC Name(4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESFc1ccc([C@H]2NCCc3sc(Cl)cc32)cc1
InChIInChI=1S/C13H11ClFNS/c14-12-7-10-11(17-12)5-6-16-13(10)8-1-3-9(15)4-2-8/h1-4,7,13,16H,5-6H2/t13-/m1/s1
InChIKeyHKTICMNIBXJRCP-CYBMUJFWSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of (4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 138556109) is (4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for (4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for (4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Fc1ccc([C@H]2NCCc3sc(Cl)cc32)cc1.
What is the InChIKey of (4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is HKTICMNIBXJRCP-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H11ClFNS/c14-12-7-10-11(17-12)5-6-16-13(10)8-1-3-9(15)4-2-8/h1-4,7,13,16H,5-6H2/t13-/m1/s1.
What are the key properties of (4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
(4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 267.76 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-chloro-4-(4-fluorophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 138556109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).