5-(4,4-difluoropiperidin-1-yl)pentanenitrile

C10H16F2N2 — CID 66570740

IUPAC5-(4,4-difluoropiperidin-1-yl)pentanenitrile
SMILESN#CCCCCN1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2/c11-10(12)4-8-14(9-5-10)7-3-1-2-6-13/h1-5,7-9H2
InChIKeyDMEGZBLZSYYKMS-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.41
Rot. Bonds4

About 5-(4,4-difluoropiperidin-1-yl)pentanenitrile

5-(4,4-difluoropiperidin-1-yl)pentanenitrile (PubChem CID 66570740) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)pentanenitrile
PubChem CID66570740
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name5-(4,4-difluoropiperidin-1-yl)pentanenitrile
SMILESN#CCCCCN1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2N2/c11-10(12)4-8-14(9-5-10)7-3-1-2-6-13/h1-5,7-9H2
InChIKeyDMEGZBLZSYYKMS-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)pentanenitrile?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)pentanenitrile (CID 66570740) is 5-(4,4-difluoropiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)pentanenitrile?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)pentanenitrile is N#CCCCCN1CCC(F)(F)CC1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)pentanenitrile?
The InChIKey is DMEGZBLZSYYKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c11-10(12)4-8-14(9-5-10)7-3-1-2-6-13/h1-5,7-9H2.
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)pentanenitrile?
5-(4,4-difluoropiperidin-1-yl)pentanenitrile has a molecular weight of 202.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 66570740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).