2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile

C13H12F5N3 — CID 58227969

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H12F5N3/c14-12(15)3-5-21(6-4-12)10(7-19)9-1-2-11(20-8-9)13(16,17)18/h1-2,8,10H,3-6H2
InChIKeyLWUNBCNBPLTOFD-UHFFFAOYSA-N
MW305.25 g/mol
LogP3.40
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile

2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile (PubChem CID 58227969) has the molecular formula C13H12F5N3 and a molecular weight of 305.25 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile
PubChem CID58227969
Molecular FormulaC13H12F5N3
Molecular Weight305.25 g/mol
Exact Mass305.10
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C13H12F5N3/c14-12(15)3-5-21(6-4-12)10(7-19)9-1-2-11(20-8-9)13(16,17)18/h1-2,8,10H,3-6H2
InChIKeyLWUNBCNBPLTOFD-UHFFFAOYSA-N
XLogP3.40
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile (CID 58227969) is 2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile is N#CC(c1ccc(C(F)(F)F)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
The InChIKey is LWUNBCNBPLTOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5N3/c14-12(15)3-5-21(6-4-12)10(7-19)9-1-2-11(20-8-9)13(16,17)18/h1-2,8,10H,3-6H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile?
2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile has a molecular weight of 305.25 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 58227969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).