4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine

C10H12F3NOS — CID 164533451

IUPAC4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine
SMILESFC(F)(F)c1cc(OC2CCNCC2)cs1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)9-5-8(6-16-9)15-7-1-3-14-4-2-7/h5-7,14H,1-4H2
InChIKeyRCCIOJJREONMKI-UHFFFAOYSA-N
MW251.27 g/mol
LogP2.90
Rot. Bonds2

About 4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine

4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine (PubChem CID 164533451) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine
PubChem CID164533451
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine
SMILESFC(F)(F)c1cc(OC2CCNCC2)cs1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)9-5-8(6-16-9)15-7-1-3-14-4-2-7/h5-7,14H,1-4H2
InChIKeyRCCIOJJREONMKI-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine?
The IUPAC name of 4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine (CID 164533451) is 4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine.
What is the SMILES notation for 4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine?
The canonical SMILES for 4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine is FC(F)(F)c1cc(OC2CCNCC2)cs1.
What is the InChIKey of 4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine?
The InChIKey is RCCIOJJREONMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c11-10(12,13)9-5-8(6-16-9)15-7-1-3-14-4-2-7/h5-7,14H,1-4H2.
What are the key properties of 4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine?
4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine has a molecular weight of 251.27 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)thiophen-3-yl]oxypiperidine is sourced from PubChem (CID 164533451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).