4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile

C8H12F3N3 — CID 61244100

IUPAC4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCNCC1
InChIInChI=1S/C8H12F3N3/c9-8(10,11)6-14-7(5-12)1-3-13-4-2-7/h13-14H,1-4,6H2
InChIKeyXBQPLBLJBFHSHI-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.78
Rot. Bonds2

About 4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile

4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile (PubChem CID 61244100) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile
PubChem CID61244100
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile
SMILESN#CC1(NCC(F)(F)F)CCNCC1
InChIInChI=1S/C8H12F3N3/c9-8(10,11)6-14-7(5-12)1-3-13-4-2-7/h13-14H,1-4,6H2
InChIKeyXBQPLBLJBFHSHI-UHFFFAOYSA-N
XLogP0.78
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile?
The IUPAC name of 4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile (CID 61244100) is 4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile?
The canonical SMILES for 4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile is N#CC1(NCC(F)(F)F)CCNCC1.
What is the InChIKey of 4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile?
The InChIKey is XBQPLBLJBFHSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c9-8(10,11)6-14-7(5-12)1-3-13-4-2-7/h13-14H,1-4,6H2.
What are the key properties of 4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile?
4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile has a molecular weight of 207.20 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 61244100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).