4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine

C11H19F3N2 — CID 66271308

IUPAC4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine
SMILESFC(F)(F)CN1CCCC1C1CCNCC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)8-16-7-1-2-10(16)9-3-5-15-6-4-9/h9-10,15H,1-8H2
InChIKeyCCBBCORVUGWHFE-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.01
Rot. Bonds2

About 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine

4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine (PubChem CID 66271308) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine
PubChem CID66271308
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine
SMILESFC(F)(F)CN1CCCC1C1CCNCC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)8-16-7-1-2-10(16)9-3-5-15-6-4-9/h9-10,15H,1-8H2
InChIKeyCCBBCORVUGWHFE-UHFFFAOYSA-N
XLogP2.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine (CID 66271308) is 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine is FC(F)(F)CN1CCCC1C1CCNCC1.
What is the InChIKey of 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine?
The InChIKey is CCBBCORVUGWHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)8-16-7-1-2-10(16)9-3-5-15-6-4-9/h9-10,15H,1-8H2.
What are the key properties of 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine?
4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine has a molecular weight of 236.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 66271308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).