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

C7H12F3NO — CID 104941332

IUPAC(1S)-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine
SMILESN[C@@H](CC(F)(F)F)C1CCOC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)3-6(11)5-1-2-12-4-5/h5-6H,1-4,11H2/t5?,6-/m0/s1
InChIKeyMZEMCXRLFHRAPB-GDVGLLTNSA-N
MW183.17 g/mol
LogP1.30
Rot. Bonds2

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

(1S)-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine (PubChem CID 104941332) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine
PubChem CID104941332
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name(1S)-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine
SMILESN[C@@H](CC(F)(F)F)C1CCOC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)3-6(11)5-1-2-12-4-5/h5-6H,1-4,11H2/t5?,6-/m0/s1
InChIKeyMZEMCXRLFHRAPB-GDVGLLTNSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.30
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-(oxolan-3-yl)propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine (CID 104941332) is (1S)-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(oxolan-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-(oxolan-3-yl)propan-1-amine?
The InChIKey is MZEMCXRLFHRAPB-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)3-6(11)5-1-2-12-4-5/h5-6H,1-4,11H2/t5?,6-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine?
(1S)-3,3,3-trifluoro-1-(oxolan-3-yl)propan-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.30, 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-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 104941332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).