3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine

C7H8F3NO — CID 63947978

IUPAC3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1ccoc1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)3-6(11)5-1-2-12-4-5/h1-2,4,6H,3,11H2
InChIKeyXUWUAIPKSHLFCD-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.23
Rot. Bonds2

About 3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine

3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine (PubChem CID 63947978) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine
PubChem CID63947978
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1ccoc1
InChIInChI=1S/C7H8F3NO/c8-7(9,10)3-6(11)5-1-2-12-4-5/h1-2,4,6H,3,11H2
InChIKeyXUWUAIPKSHLFCD-UHFFFAOYSA-N
XLogP2.23
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine (CID 63947978) is 3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine is NC(CC(F)(F)F)c1ccoc1.
What is the InChIKey of 3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
The InChIKey is XUWUAIPKSHLFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c8-7(9,10)3-6(11)5-1-2-12-4-5/h1-2,4,6H,3,11H2.
What are the key properties of 3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine has a molecular weight of 179.14 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine is sourced from PubChem (CID 63947978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).