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

C7H11F2NO — CID 130682532

IUPAC1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine
SMILESCC(F)(F)C(N)C1=CCCO1
InChIInChI=1S/C7H11F2NO/c1-7(8,9)6(10)5-3-2-4-11-5/h3,6H,2,4,10H2,1H3
InChIKeyQEXRAKLTFSTYOZ-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.27
Rot. Bonds2

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

1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine (PubChem CID 130682532) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine
PubChem CID130682532
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine
SMILESCC(F)(F)C(N)C1=CCCO1
InChIInChI=1S/C7H11F2NO/c1-7(8,9)6(10)5-3-2-4-11-5/h3,6H,2,4,10H2,1H3
InChIKeyQEXRAKLTFSTYOZ-UHFFFAOYSA-N
XLogP1.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine (CID 130682532) is 1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine is CC(F)(F)C(N)C1=CCCO1.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine?
The InChIKey is QEXRAKLTFSTYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-7(8,9)6(10)5-3-2-4-11-5/h3,6H,2,4,10H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine?
1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine has a molecular weight of 163.17 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-2,2-difluoropropan-1-amine is sourced from PubChem (CID 130682532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).