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

C7H8F3NO — CID 55291887

IUPAC(1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine
SMILESN[C@@H](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/t6-/m0/s1
InChIKeyXUWUAIPKSHLFCD-LURJTMIESA-N
MW179.14 g/mol
LogP2.23
Rot. Bonds2

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

(1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine (PubChem CID 55291887) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine
PubChem CID55291887
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name(1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine
SMILESN[C@@H](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/t6-/m0/s1
InChIKeyXUWUAIPKSHLFCD-LURJTMIESA-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 (1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine (CID 55291887) is (1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine is N[C@@H](CC(F)(F)F)c1ccoc1.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
The InChIKey is XUWUAIPKSHLFCD-LURJTMIESA-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/t6-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine?
(1S)-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 (1S)-3,3,3-trifluoro-1-(furan-3-yl)propan-1-amine is sourced from PubChem (CID 55291887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).