[(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid

C6H10F3NO3 — CID 69064135

IUPAC[(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC[C@@H]1CCN1
InChIInChI=1S/C4H9NO.C2HF3O2/c6-3-4-1-2-5-4;3-2(4,5)1(6)7/h4-6H,1-3H2;(H,6,7)/t4-;/m0./s1
InChIKeySZJPWDUKGCZBQI-WCCKRBBISA-N
MW201.14 g/mol
LogP-0.03
Rot. Bonds1

About [(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid

[(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 69064135) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is [(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid
PubChem CID69064135
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name[(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC[C@@H]1CCN1
InChIInChI=1S/C4H9NO.C2HF3O2/c6-3-4-1-2-5-4;3-2(4,5)1(6)7/h4-6H,1-3H2;(H,6,7)/t4-;/m0./s1
InChIKeySZJPWDUKGCZBQI-WCCKRBBISA-N
XLogP-0.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4R)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid
CID 178190276
(S)-2-(Methoxymethyl)azetidine 2,2,2-trifluoroacetate
CID 68948694
(R)-2-(methoxymethyl)azetidine trifluoroacetic acid salt
CID 68949596
[(2S)-azetidin-2-yl]methyl 2,2,2-trifluoroacetate
CID 69064137
2-(Methoxymethyl)azetidine trifluoroacetic acid salt
CID 77577889
2-Methylazetidin-3-ol; trifluoroacetic acid
CID 91800939
(3,3-Difluoroazetidin-2-yl)methanol
CID 126970511
(2-Methylazetidin-2-yl)methanol; trifluoroacetic acid
CID 135397496
(3,3-Difluoroazetidin-2-yl)methanol hydrochloride
CID 146012792
[(2S,4S)-4-(hydroxymethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetaldehyde
CID 174189619
(2R,3S)-2-methylazetidin-3-ol;2,2,2-trifluoroacetic acid
CID 174242020
[2-(Difluoromethyl)azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid
CID 176377746

Frequently Asked Questions

What is the IUPAC name of [(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid (CID 69064135) is [(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC[C@@H]1CCN1.
What is the InChIKey of [(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is SZJPWDUKGCZBQI-WCCKRBBISA-N. The full InChI is InChI=1S/C4H9NO.C2HF3O2/c6-3-4-1-2-5-4;3-2(4,5)1(6)7/h4-6H,1-3H2;(H,6,7)/t4-;/m0./s1.
What are the key properties of [(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid?
[(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid has a molecular weight of 201.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-azetidin-2-yl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69064135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).