4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine

C12H21F3N2 — CID 66274080

IUPAC4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine
SMILESFC(F)(F)CCN1CCCC1C1CCNCC1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)5-9-17-8-1-2-11(17)10-3-6-16-7-4-10/h10-11,16H,1-9H2
InChIKeyUSEMUKDXFMTJDG-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.40
Rot. Bonds3

About 4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine

4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine (PubChem CID 66274080) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine.

Molecular Properties

Compound Name4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine
PubChem CID66274080
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine
SMILESFC(F)(F)CCN1CCCC1C1CCNCC1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)5-9-17-8-1-2-11(17)10-3-6-16-7-4-10/h10-11,16H,1-9H2
InChIKeyUSEMUKDXFMTJDG-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine?
The IUPAC name of 4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine (CID 66274080) is 4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine.
What is the SMILES notation for 4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine?
The canonical SMILES for 4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine is FC(F)(F)CCN1CCCC1C1CCNCC1.
What is the InChIKey of 4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine?
The InChIKey is USEMUKDXFMTJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)5-9-17-8-1-2-11(17)10-3-6-16-7-4-10/h10-11,16H,1-9H2.
What are the key properties of 4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine?
4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine has a molecular weight of 250.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]piperidine is sourced from PubChem (CID 66274080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).