(2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid

C7H12F3NO3 — CID 135397496

IUPAC(2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid
SMILESCC1(CO)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-5(4-7)2-3-6-5;3-2(4,5)1(6)7/h6-7H,2-4H2,1H3;(H,6,7)
InChIKeyPOWPUOHPXSMOES-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.36
Rot. Bonds1

About (2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid

(2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid (PubChem CID 135397496) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is (2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid
PubChem CID135397496
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name(2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid
SMILESCC1(CO)CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-5(4-7)2-3-6-5;3-2(4,5)1(6)7/h6-7H,2-4H2,1H3;(H,6,7)
InChIKeyPOWPUOHPXSMOES-UHFFFAOYSA-N
XLogP0.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of (2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid (CID 135397496) is (2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid is CC1(CO)CCN1.O=C(O)C(F)(F)F.
What is the InChIKey of (2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid?
The InChIKey is POWPUOHPXSMOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2HF3O2/c1-5(4-7)2-3-6-5;3-2(4,5)1(6)7/h6-7H,2-4H2,1H3;(H,6,7).
What are the key properties of (2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid?
(2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid has a molecular weight of 215.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylazetidin-2-yl)methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135397496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).