4-(2-chlorothiophen-3-yl)-4-fluoropiperidine

C9H11ClFNS — CID 131048972

IUPAC4-(2-chlorothiophen-3-yl)-4-fluoropiperidine
SMILESFC1(c2ccsc2Cl)CCNCC1
InChIInChI=1S/C9H11ClFNS/c10-8-7(1-6-13-8)9(11)2-4-12-5-3-9/h1,6,12H,2-5H2
InChIKeyHVXYYXIBDSGTRB-UHFFFAOYSA-N
MW219.71 g/mol
LogP2.95
Rot. Bonds1

About 4-(2-chlorothiophen-3-yl)-4-fluoropiperidine

4-(2-chlorothiophen-3-yl)-4-fluoropiperidine (PubChem CID 131048972) has the molecular formula C9H11ClFNS and a molecular weight of 219.71 g/mol. Its IUPAC name is 4-(2-chlorothiophen-3-yl)-4-fluoropiperidine.

Molecular Properties

Compound Name4-(2-chlorothiophen-3-yl)-4-fluoropiperidine
PubChem CID131048972
Molecular FormulaC9H11ClFNS
Molecular Weight219.71 g/mol
Exact Mass219.03
IUPAC Name4-(2-chlorothiophen-3-yl)-4-fluoropiperidine
SMILESFC1(c2ccsc2Cl)CCNCC1
InChIInChI=1S/C9H11ClFNS/c10-8-7(1-6-13-8)9(11)2-4-12-5-3-9/h1,6,12H,2-5H2
InChIKeyHVXYYXIBDSGTRB-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorothiophen-3-yl)-4-fluoropiperidine?
The IUPAC name of 4-(2-chlorothiophen-3-yl)-4-fluoropiperidine (CID 131048972) is 4-(2-chlorothiophen-3-yl)-4-fluoropiperidine.
What is the SMILES notation for 4-(2-chlorothiophen-3-yl)-4-fluoropiperidine?
The canonical SMILES for 4-(2-chlorothiophen-3-yl)-4-fluoropiperidine is FC1(c2ccsc2Cl)CCNCC1.
What is the InChIKey of 4-(2-chlorothiophen-3-yl)-4-fluoropiperidine?
The InChIKey is HVXYYXIBDSGTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNS/c10-8-7(1-6-13-8)9(11)2-4-12-5-3-9/h1,6,12H,2-5H2.
What are the key properties of 4-(2-chlorothiophen-3-yl)-4-fluoropiperidine?
4-(2-chlorothiophen-3-yl)-4-fluoropiperidine has a molecular weight of 219.71 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorothiophen-3-yl)-4-fluoropiperidine is sourced from PubChem (CID 131048972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).