ethane;3-fluoroazetidine-3-carboxylic acid

C6H12FNO2 — CID 144523535

IUPACethane;3-fluoroazetidine-3-carboxylic acid
SMILESCC.O=C(O)C1(F)CNC1
InChIInChI=1S/C4H6FNO2.C2H6/c5-4(3(7)8)1-6-2-4;1-2/h6H,1-2H2,(H,7,8);1-2H3
InChIKeyUWXCFSKUCMFWOO-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.41
Rot. Bonds1

About ethane;3-fluoroazetidine-3-carboxylic acid

ethane;3-fluoroazetidine-3-carboxylic acid (PubChem CID 144523535) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is ethane;3-fluoroazetidine-3-carboxylic acid.

Molecular Properties

Compound Nameethane;3-fluoroazetidine-3-carboxylic acid
PubChem CID144523535
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Nameethane;3-fluoroazetidine-3-carboxylic acid
SMILESCC.O=C(O)C1(F)CNC1
InChIInChI=1S/C4H6FNO2.C2H6/c5-4(3(7)8)1-6-2-4;1-2/h6H,1-2H2,(H,7,8);1-2H3
InChIKeyUWXCFSKUCMFWOO-UHFFFAOYSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoroazetidine-3-carboxylic acid;methyl 3-fluoroazetidine-3-carboxylate;thionyl dichloride;dihydrochloride
CID 159862260
(1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylic acid
CID 86313116
azane;azetidine-3,3-dicarboxylic acid;platinum
CID 170540067
3-fluoro-N-propan-2-ylpiperidine-3-carboxamide
CID 84719189
(3R)-3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide
CID 129410919
5-methyl-3-azabicyclo[3.1.1]heptane-1-carboxylic acid
CID 167729441
(3-fluoroazetidin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 176675857
(1S,6S)-7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 129321000
(1S,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 129320998
3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 130643464
3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130737034
3-(diethylamino)azetidine-3-carboxylic acid
CID 105435137

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoroazetidine-3-carboxylic acid?
The IUPAC name of ethane;3-fluoroazetidine-3-carboxylic acid (CID 144523535) is ethane;3-fluoroazetidine-3-carboxylic acid.
What is the SMILES notation for ethane;3-fluoroazetidine-3-carboxylic acid?
The canonical SMILES for ethane;3-fluoroazetidine-3-carboxylic acid is CC.O=C(O)C1(F)CNC1.
What is the InChIKey of ethane;3-fluoroazetidine-3-carboxylic acid?
The InChIKey is UWXCFSKUCMFWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO2.C2H6/c5-4(3(7)8)1-6-2-4;1-2/h6H,1-2H2,(H,7,8);1-2H3.
What are the key properties of ethane;3-fluoroazetidine-3-carboxylic acid?
ethane;3-fluoroazetidine-3-carboxylic acid has a molecular weight of 149.16 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoroazetidine-3-carboxylic acid is sourced from PubChem (CID 144523535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).