(1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine

C6H10F3NO — CID 96689906

IUPAC(1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine
SMILESN[C@@H]([C@@H]1CCOC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(10)4-1-2-11-3-4/h4-5H,1-3,10H2/t4-,5+/m1/s1
InChIKeyJOWFPQPRIGAJRY-UHNVWZDZSA-N
MW169.15 g/mol
LogP0.91
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine

(1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine (PubChem CID 96689906) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine
PubChem CID96689906
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine
SMILESN[C@@H]([C@@H]1CCOC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(10)4-1-2-11-3-4/h4-5H,1-3,10H2/t4-,5+/m1/s1
InChIKeyJOWFPQPRIGAJRY-UHNVWZDZSA-N
XLogP0.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Oxolan-3-yl)ethan-1-amine
CID 21054629
1-(Oxolan-3-yl)ethan-1-amine hydrochloride
CID 91662865
2,2,2-Trifluoro-1-tetrahydropyran-4-yl-ethanamine;hydrochloride
CID 122714164
(4,4-Difluorotetrahydrofuran-3-YL)methanamine hydrochloride
CID 126844441
(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethan-1-amine hydrochloride
CID 127264193
2,2,2-trifluoro-N-methyl-1-(oxolan-3-yl)ethanamine
CID 55282487
2,2,2-Trifluoro-1-(oxan-4-yl)ethan-1-amine
CID 63897715
2,2,2-Trifluoro-1-(tetrahydrofuran-3-yl)ethanamine
CID 63898855
Methanidyl-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]azanium
CID 155624841
3-Methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490660
3-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490865
3,3,3-Trifluoro-1-(oxolan-3-yl)propan-1-amine
CID 63562852

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine (CID 96689906) is (1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine is N[C@@H]([C@@H]1CCOC1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine?
The InChIKey is JOWFPQPRIGAJRY-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5(10)4-1-2-11-3-4/h4-5H,1-3,10H2/t4-,5+/m1/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine?
(1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine has a molecular weight of 169.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-[(3S)-oxolan-3-yl]ethanamine is sourced from PubChem (CID 96689906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).