3-(4,4-difluoropiperidin-1-yl)propan-1-amine

C8H16F2N2 — CID 66570737

IUPAC3-(4,4-difluoropiperidin-1-yl)propan-1-amine
SMILESNCCCN1CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N2/c9-8(10)2-6-12(7-3-8)5-1-4-11/h1-7,11H2
InChIKeyQFGAZHYAXWTEQI-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.07
Rot. Bonds3

About 3-(4,4-difluoropiperidin-1-yl)propan-1-amine

3-(4,4-difluoropiperidin-1-yl)propan-1-amine (PubChem CID 66570737) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)propan-1-amine
PubChem CID66570737
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name3-(4,4-difluoropiperidin-1-yl)propan-1-amine
SMILESNCCCN1CCC(F)(F)CC1
InChIInChI=1S/C8H16F2N2/c9-8(10)2-6-12(7-3-8)5-1-4-11/h1-7,11H2
InChIKeyQFGAZHYAXWTEQI-UHFFFAOYSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)propan-1-amine (CID 66570737) is 3-(4,4-difluoropiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)propan-1-amine is NCCCN1CCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)propan-1-amine?
The InChIKey is QFGAZHYAXWTEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c9-8(10)2-6-12(7-3-8)5-1-4-11/h1-7,11H2.
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)propan-1-amine?
3-(4,4-difluoropiperidin-1-yl)propan-1-amine has a molecular weight of 178.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 66570737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).