(Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine

C8H15F2N3 — CID 155330089

IUPAC(Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine
SMILESC/C(N)=C/NC1CNCC(F)(F)C1
InChIInChI=1S/C8H15F2N3/c1-6(11)3-13-7-2-8(9,10)5-12-4-7/h3,7,12-13H,2,4-5,11H2,1H3/b6-3-
InChIKeyBWFUUZJQOOJEGY-UTCJRWHESA-N
MW191.22 g/mol
LogP0.39
Rot. Bonds2

About (Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine

(Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine (PubChem CID 155330089) has the molecular formula C8H15F2N3 and a molecular weight of 191.22 g/mol. Its IUPAC name is (Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine
PubChem CID155330089
Molecular FormulaC8H15F2N3
Molecular Weight191.22 g/mol
Exact Mass191.12
IUPAC Name(Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine
SMILESC/C(N)=C/NC1CNCC(F)(F)C1
InChIInChI=1S/C8H15F2N3/c1-6(11)3-13-7-2-8(9,10)5-12-4-7/h3,7,12-13H,2,4-5,11H2,1H3/b6-3-
InChIKeyBWFUUZJQOOJEGY-UTCJRWHESA-N
XLogP0.39
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine (CID 155330089) is (Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine is C/C(N)=C/NC1CNCC(F)(F)C1.
What is the InChIKey of (Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine?
The InChIKey is BWFUUZJQOOJEGY-UTCJRWHESA-N. The full InChI is InChI=1S/C8H15F2N3/c1-6(11)3-13-7-2-8(9,10)5-12-4-7/h3,7,12-13H,2,4-5,11H2,1H3/b6-3-.
What are the key properties of (Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine?
(Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine has a molecular weight of 191.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine is sourced from PubChem (CID 155330089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).