1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol

C8H14F3NO2 — CID 3542478

IUPAC1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)7(13)5-12-4-6-2-1-3-14-6/h6-7,12-13H,1-5H2
InChIKeyZKQYVJNPHNSTQA-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds4

About 1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol

1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol (PubChem CID 3542478) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol
PubChem CID3542478
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)7(13)5-12-4-6-2-1-3-14-6/h6-7,12-13H,1-5H2
InChIKeyZKQYVJNPHNSTQA-UHFFFAOYSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,4-difluorooxolan-2-yl)-N-methylmethanamine
CID 177808931
Tetrahydrofurfurylamino-ethanol
CID 19930548
[(4R)-4-(2,2-difluoroethoxy)pyrrolidin-2-yl]methanol
CID 117821806
[4-(2,2-Difluoroethoxy)pyrrolidin-2-yl]methanol
CID 123475252
2-ethoxy-N-[[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl]ethanamine
CID 163758359
2-(2,2-Difluoroethylamino)-2-(oxolan-2-yl)ethanol
CID 169181846
N-(5-methyltetrahydro-2-furfuryl)aminoethanol
CID 129875017
(2S)-1,1,1-trifluoro-3-[[(2S)-oxolan-2-yl]methylamino]propan-2-ol
CID 1485776
(2R)-1,1,1-trifluoro-3-[[(2S)-oxolan-2-yl]methylamino]propan-2-ol
CID 1485777
2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 28595890
2,2,2-trifluoro-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 28595892
(2S)-1,1,1-trifluoro-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
CID 40852850

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol (CID 3542478) is 1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol is OC(CNCC1CCCO1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol?
The InChIKey is ZKQYVJNPHNSTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)7(13)5-12-4-6-2-1-3-14-6/h6-7,12-13H,1-5H2.
What are the key properties of 1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol?
1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol has a molecular weight of 213.20 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(oxolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 3542478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).