2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine

C7H11F2NO — CID 76702964

IUPAC2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine
SMILESNCC(C(F)F)C1C=CCO1
InChIInChI=1S/C7H11F2NO/c8-7(9)5(4-10)6-2-1-3-11-6/h1-2,5-7H,3-4,10H2
InChIKeyGKNDOXVUJCHNNU-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.78
Rot. Bonds3

About 2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine

2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine (PubChem CID 76702964) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine
PubChem CID76702964
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine
SMILESNCC(C(F)F)C1C=CCO1
InChIInChI=1S/C7H11F2NO/c8-7(9)5(4-10)6-2-1-3-11-6/h1-2,5-7H,3-4,10H2
InChIKeyGKNDOXVUJCHNNU-UHFFFAOYSA-N
XLogP0.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine?
The IUPAC name of 2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine (CID 76702964) is 2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for 2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine?
The canonical SMILES for 2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine is NCC(C(F)F)C1C=CCO1.
What is the InChIKey of 2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine?
The InChIKey is GKNDOXVUJCHNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)5(4-10)6-2-1-3-11-6/h1-2,5-7H,3-4,10H2.
What are the key properties of 2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine?
2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine has a molecular weight of 163.17 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydrofuran-2-yl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 76702964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).