2-(azetidin-3-yl)-2,2-difluoroacetic acid

C5H7F2NO2 — CID 105429494

IUPAC2-(azetidin-3-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1CNC1
InChIInChI=1S/C5H7F2NO2/c6-5(7,4(9)10)3-1-8-2-3/h3,8H,1-2H2,(H,9,10)
InChIKeySLJUQWCOIHWLKV-UHFFFAOYSA-N
MW151.11 g/mol
LogP-0.07
Rot. Bonds2

About 2-(azetidin-3-yl)-2,2-difluoroacetic acid

2-(azetidin-3-yl)-2,2-difluoroacetic acid (PubChem CID 105429494) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(azetidin-3-yl)-2,2-difluoroacetic acid
PubChem CID105429494
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name2-(azetidin-3-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)C1CNC1
InChIInChI=1S/C5H7F2NO2/c6-5(7,4(9)10)3-1-8-2-3/h3,8H,1-2H2,(H,9,10)
InChIKeySLJUQWCOIHWLKV-UHFFFAOYSA-N
XLogP-0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Azetidineacetic acid
CID 11768547
Methyl 2-(azetidin-3-yl)acetate; trifluoroacetic acid
CID 66521690
2-(Azetidin-3-yl)acetic acid; trifluoroacetic acid
CID 67112606
2-(Azetidin-3-yl)propanoic acid; trifluoroacetic acid
CID 75478612
2-(Azetidin-3-yl)-2-fluoroacetic acid hydrochloride
CID 134163173
2-(Azetidin-3-yl)propanoic acid
CID 75478613
[2-(Azetidin-3-yl)acetyl] 2,2,2-trifluoroacetate
CID 87273895
(2S,3S)-3-(trifluoromethyl)azetidine-2-carboxylic acid
CID 122462389
4-(2,2-Difluoropropylamino)-3-methylbutanoic acid
CID 144847250
2-(Azetidin-3-yl)acetic acid;methyl 2,2,2-trifluoroacetate
CID 160756036
2-(Azetidin-3-yl)-2-fluoroacetic acid
CID 105427707
2-(3-Fluoroazetidin-3-yl)acetic acid
CID 115011263

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(azetidin-3-yl)-2,2-difluoroacetic acid (CID 105429494) is 2-(azetidin-3-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(azetidin-3-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(azetidin-3-yl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-2,2-difluoroacetic acid?
The InChIKey is SLJUQWCOIHWLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-5(7,4(9)10)3-1-8-2-3/h3,8H,1-2H2,(H,9,10).
What are the key properties of 2-(azetidin-3-yl)-2,2-difluoroacetic acid?
2-(azetidin-3-yl)-2,2-difluoroacetic acid has a molecular weight of 151.11 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 105429494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).