3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine

C8H14F2N2 — CID 176921013

IUPAC3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine
SMILESC=C(C)N1CCC(N)C(F)(F)C1
InChIInChI=1S/C8H14F2N2/c1-6(2)12-4-3-7(11)8(9,10)5-12/h7H,1,3-5,11H2,2H3
InChIKeyISPAMOPUBYVDPQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.19
Rot. Bonds1

About 3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine

3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine (PubChem CID 176921013) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine
PubChem CID176921013
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine
SMILESC=C(C)N1CCC(N)C(F)(F)C1
InChIInChI=1S/C8H14F2N2/c1-6(2)12-4-3-7(11)8(9,10)5-12/h7H,1,3-5,11H2,2H3
InChIKeyISPAMOPUBYVDPQ-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine?
The IUPAC name of 3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine (CID 176921013) is 3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine.
What is the SMILES notation for 3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine?
The canonical SMILES for 3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine is C=C(C)N1CCC(N)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine?
The InChIKey is ISPAMOPUBYVDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-6(2)12-4-3-7(11)8(9,10)5-12/h7H,1,3-5,11H2,2H3.
What are the key properties of 3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine?
3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine has a molecular weight of 176.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-prop-1-en-2-ylpiperidin-4-amine is sourced from PubChem (CID 176921013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).