3,3-difluoropiperidin-4-amine;ethane

C9H22F2N2 — CID 142519908

IUPAC3,3-difluoropiperidin-4-amine;ethane
SMILESCC.CC.NC1CCNCC1(F)F
InChIInChI=1S/C5H10F2N2.2C2H6/c6-5(7)3-9-2-1-4(5)8;2*1-2/h4,9H,1-3,8H2;2*1-2H3
InChIKeyPTQRZSDKDPRXSJ-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.99
Rot. Bonds

About 3,3-difluoropiperidin-4-amine;ethane

3,3-difluoropiperidin-4-amine;ethane (PubChem CID 142519908) has the molecular formula C9H22F2N2 and a molecular weight of 196.28 g/mol. Its IUPAC name is 3,3-difluoropiperidin-4-amine;ethane.

Molecular Properties

Compound Name3,3-difluoropiperidin-4-amine;ethane
PubChem CID142519908
Molecular FormulaC9H22F2N2
Molecular Weight196.28 g/mol
Exact Mass196.18
IUPAC Name3,3-difluoropiperidin-4-amine;ethane
SMILESCC.CC.NC1CCNCC1(F)F
InChIInChI=1S/C5H10F2N2.2C2H6/c6-5(7)3-9-2-1-4(5)8;2*1-2/h4,9H,1-3,8H2;2*1-2H3
InChIKeyPTQRZSDKDPRXSJ-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropiperidin-4-amine;ethane?
The IUPAC name of 3,3-difluoropiperidin-4-amine;ethane (CID 142519908) is 3,3-difluoropiperidin-4-amine;ethane.
What is the SMILES notation for 3,3-difluoropiperidin-4-amine;ethane?
The canonical SMILES for 3,3-difluoropiperidin-4-amine;ethane is CC.CC.NC1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoropiperidin-4-amine;ethane?
The InChIKey is PTQRZSDKDPRXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2.2C2H6/c6-5(7)3-9-2-1-4(5)8;2*1-2/h4,9H,1-3,8H2;2*1-2H3.
What are the key properties of 3,3-difluoropiperidin-4-amine;ethane?
3,3-difluoropiperidin-4-amine;ethane has a molecular weight of 196.28 g/mol, XLogP of 1.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidin-4-amine;ethane is sourced from PubChem (CID 142519908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).