1,1-difluoro-3-(furan-3-yl)propan-2-amine

C7H9F2NO — CID 103517032

IUPAC1,1-difluoro-3-(furan-3-yl)propan-2-amine
SMILESNC(Cc1ccoc1)C(F)F
InChIInChI=1S/C7H9F2NO/c8-7(9)6(10)3-5-1-2-11-4-5/h1-2,4,6-7H,3,10H2
InChIKeyBNRRAQIXZUYJFH-UHFFFAOYSA-N
MW161.15 g/mol
LogP1.41
Rot. Bonds3

About 1,1-difluoro-3-(furan-3-yl)propan-2-amine

1,1-difluoro-3-(furan-3-yl)propan-2-amine (PubChem CID 103517032) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 1,1-difluoro-3-(furan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-(furan-3-yl)propan-2-amine
PubChem CID103517032
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name1,1-difluoro-3-(furan-3-yl)propan-2-amine
SMILESNC(Cc1ccoc1)C(F)F
InChIInChI=1S/C7H9F2NO/c8-7(9)6(10)3-5-1-2-11-4-5/h1-2,4,6-7H,3,10H2
InChIKeyBNRRAQIXZUYJFH-UHFFFAOYSA-N
XLogP1.41
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(furan-3-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-3-(furan-3-yl)propan-2-amine (CID 103517032) is 1,1-difluoro-3-(furan-3-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-(furan-3-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-3-(furan-3-yl)propan-2-amine is NC(Cc1ccoc1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(furan-3-yl)propan-2-amine?
The InChIKey is BNRRAQIXZUYJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-7(9)6(10)3-5-1-2-11-4-5/h1-2,4,6-7H,3,10H2.
What are the key properties of 1,1-difluoro-3-(furan-3-yl)propan-2-amine?
1,1-difluoro-3-(furan-3-yl)propan-2-amine has a molecular weight of 161.15 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(furan-3-yl)propan-2-amine is sourced from PubChem (CID 103517032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).