(5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone

C10H11ClFNOS — CID 137345878

IUPAC(5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(F)CC1
InChIInChI=1S/C10H11ClFNOS/c11-9-2-1-8(15-9)10(14)13-5-3-7(12)4-6-13/h1-2,7H,3-6H2
InChIKeyFMLRBWMUWKVAHJ-UHFFFAOYSA-N
MW247.72 g/mol
LogP2.98
Rot. Bonds1

About (5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone

(5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone (PubChem CID 137345878) has the molecular formula C10H11ClFNOS and a molecular weight of 247.72 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone
PubChem CID137345878
Molecular FormulaC10H11ClFNOS
Molecular Weight247.72 g/mol
Exact Mass247.02
IUPAC Name(5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)s1)N1CCC(F)CC1
InChIInChI=1S/C10H11ClFNOS/c11-9-2-1-8(15-9)10(14)13-5-3-7(12)4-6-13/h1-2,7H,3-6H2
InChIKeyFMLRBWMUWKVAHJ-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone (CID 137345878) is (5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone is O=C(c1ccc(Cl)s1)N1CCC(F)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone?
The InChIKey is FMLRBWMUWKVAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNOS/c11-9-2-1-8(15-9)10(14)13-5-3-7(12)4-6-13/h1-2,7H,3-6H2.
What are the key properties of (5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone?
(5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone has a molecular weight of 247.72 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-fluoropiperidin-1-yl)methanone is sourced from PubChem (CID 137345878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).