3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol

C6H10F3NO2 — CID 106939889

IUPAC3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol
SMILESOC(COC1CNC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5(11)3-12-4-1-10-2-4/h4-5,10-11H,1-3H2
InChIKeyNTOOXFXIXXJZCT-UHFFFAOYSA-N
MW185.14 g/mol
LogP-0.10
Rot. Bonds3

About 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol

3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol (PubChem CID 106939889) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol
PubChem CID106939889
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol
SMILESOC(COC1CNC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c7-6(8,9)5(11)3-12-4-1-10-2-4/h4-5,10-11H,1-3H2
InChIKeyNTOOXFXIXXJZCT-UHFFFAOYSA-N
XLogP-0.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropoxy)azetidine;hydrochloride
CID 67154547
3-piperidin-4-yloxy-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103920690
3-[2-(trifluoromethylsulfonyl)ethoxy]azetidine
CID 165499881
3-(azetidin-3-yloxy)-2-formamidopropanamide
CID 177147100
3-(4-chloro-3,3-difluorobutoxy)azetidine
CID 175192234
3-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1-trifluoropropan-2-ol
CID 58935190
3-ethoxyazetidine
CID 22507733
propan-2-yl 2-(azetidin-3-yloxy)acetate
CID 106939880
(2R)-3-[(3R)-pyrrolidin-3-yl]oxypropane-1,2-diol
CID 141146160
3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,1,1-trifluoropropan-2-ol
CID 66209898
2-(azetidin-3-yloxymethyl)-2-methylpropane-1,3-diol
CID 165492630
2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine
CID 175349695

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol (CID 106939889) is 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol is OC(COC1CNC1)C(F)(F)F.
What is the InChIKey of 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NTOOXFXIXXJZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c7-6(8,9)5(11)3-12-4-1-10-2-4/h4-5,10-11H,1-3H2.
What are the key properties of 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol?
3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol has a molecular weight of 185.14 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yloxy)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 106939889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).