4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine

C7H10F2N4 — CID 164584666

IUPAC4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESFC1(F)CCNCC1c1ncn[nH]1
InChIInChI=1S/C7H10F2N4/c8-7(9)1-2-10-3-5(7)6-11-4-12-13-6/h4-5,10H,1-3H2,(H,11,12,13)
InChIKeyYIPYUZSQCJDVKG-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.52
Rot. Bonds1

About 4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine

4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine (PubChem CID 164584666) has the molecular formula C7H10F2N4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine
PubChem CID164584666
Molecular FormulaC7H10F2N4
Molecular Weight188.18 g/mol
Exact Mass188.09
IUPAC Name4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine
SMILESFC1(F)CCNCC1c1ncn[nH]1
InChIInChI=1S/C7H10F2N4/c8-7(9)1-2-10-3-5(7)6-11-4-12-13-6/h4-5,10H,1-3H2,(H,11,12,13)
InChIKeyYIPYUZSQCJDVKG-UHFFFAOYSA-N
XLogP0.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine?
The IUPAC name of 4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine (CID 164584666) is 4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine?
The canonical SMILES for 4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine is FC1(F)CCNCC1c1ncn[nH]1.
What is the InChIKey of 4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine?
The InChIKey is YIPYUZSQCJDVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4/c8-7(9)1-2-10-3-5(7)6-11-4-12-13-6/h4-5,10H,1-3H2,(H,11,12,13).
What are the key properties of 4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine?
4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine has a molecular weight of 188.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidine is sourced from PubChem (CID 164584666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).