4-(1,1-difluoroethyl)piperidin-1-amine

C7H14F2N2 — CID 121202506

IUPAC4-(1,1-difluoroethyl)piperidin-1-amine
SMILESCC(F)(F)C1CCN(N)CC1
InChIInChI=1S/C7H14F2N2/c1-7(8,9)6-2-4-11(10)5-3-6/h6H,2-5,10H2,1H3
InChIKeyFQGZVGJHKGCTGT-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.23
Rot. Bonds1

About 4-(1,1-difluoroethyl)piperidin-1-amine

4-(1,1-difluoroethyl)piperidin-1-amine (PubChem CID 121202506) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)piperidin-1-amine.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)piperidin-1-amine
PubChem CID121202506
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name4-(1,1-difluoroethyl)piperidin-1-amine
SMILESCC(F)(F)C1CCN(N)CC1
InChIInChI=1S/C7H14F2N2/c1-7(8,9)6-2-4-11(10)5-3-6/h6H,2-5,10H2,1H3
InChIKeyFQGZVGJHKGCTGT-UHFFFAOYSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)piperidin-1-amine?
The IUPAC name of 4-(1,1-difluoroethyl)piperidin-1-amine (CID 121202506) is 4-(1,1-difluoroethyl)piperidin-1-amine.
What is the SMILES notation for 4-(1,1-difluoroethyl)piperidin-1-amine?
The canonical SMILES for 4-(1,1-difluoroethyl)piperidin-1-amine is CC(F)(F)C1CCN(N)CC1.
What is the InChIKey of 4-(1,1-difluoroethyl)piperidin-1-amine?
The InChIKey is FQGZVGJHKGCTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-7(8,9)6-2-4-11(10)5-3-6/h6H,2-5,10H2,1H3.
What are the key properties of 4-(1,1-difluoroethyl)piperidin-1-amine?
4-(1,1-difluoroethyl)piperidin-1-amine has a molecular weight of 164.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)piperidin-1-amine is sourced from PubChem (CID 121202506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).