butanoic acid;3-(4-fluorophenyl)azetidine

C13H18FNO2 — CID 174902483

IUPACbutanoic acid;3-(4-fluorophenyl)azetidine
SMILESCCCC(=O)O.Fc1ccc(C2CNC2)cc1
InChIInChI=1S/C9H10FN.C4H8O2/c10-9-3-1-7(2-4-9)8-5-11-6-8;1-2-3-4(5)6/h1-4,8,11H,5-6H2;2-3H2,1H3,(H,5,6)
InChIKeyLDISEFZSJZPROT-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.38
Rot. Bonds3

About butanoic acid;3-(4-fluorophenyl)azetidine

butanoic acid;3-(4-fluorophenyl)azetidine (PubChem CID 174902483) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is butanoic acid;3-(4-fluorophenyl)azetidine.

Molecular Properties

Compound Namebutanoic acid;3-(4-fluorophenyl)azetidine
PubChem CID174902483
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Namebutanoic acid;3-(4-fluorophenyl)azetidine
SMILESCCCC(=O)O.Fc1ccc(C2CNC2)cc1
InChIInChI=1S/C9H10FN.C4H8O2/c10-9-3-1-7(2-4-9)8-5-11-6-8;1-2-3-4(5)6/h1-4,8,11H,5-6H2;2-3H2,1H3,(H,5,6)
InChIKeyLDISEFZSJZPROT-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)azetidine
CID 55250938
3-(4-bromophenyl)azetidine;2,2,2-trifluoroacetic acid
CID 162316669
3-(4-piperidin-3-ylphenyl)propanoic acid
CID 116988287
2-[[3-(4-fluorophenyl)cyclobutyl]amino]acetic acid
CID 43635152
1-bromo-4-fluorobenzene;pentanoic acid
CID 175420474
1-[4-(4-fluorophenyl)cyclohexyl]-2-methylpentan-1-one
CID 20560873
(4R)-4-[4-(azetidin-3-yl)phenyl]pentan-2-one
CID 158144410
[4-(azetidin-3-yl)phenyl]-oxoazanium;2,2,2-trifluoroacetic acid
CID 177362396
butanoic acid;2,3,4-trifluoro-6-azabicyclo[3.1.1]hepta-1(7),2,4-triene
CID 174769913
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-N-propylpropanamide
CID 43684863
3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119191361
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833

Frequently Asked Questions

What is the IUPAC name of butanoic acid;3-(4-fluorophenyl)azetidine?
The IUPAC name of butanoic acid;3-(4-fluorophenyl)azetidine (CID 174902483) is butanoic acid;3-(4-fluorophenyl)azetidine.
What is the SMILES notation for butanoic acid;3-(4-fluorophenyl)azetidine?
The canonical SMILES for butanoic acid;3-(4-fluorophenyl)azetidine is CCCC(=O)O.Fc1ccc(C2CNC2)cc1.
What is the InChIKey of butanoic acid;3-(4-fluorophenyl)azetidine?
The InChIKey is LDISEFZSJZPROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN.C4H8O2/c10-9-3-1-7(2-4-9)8-5-11-6-8;1-2-3-4(5)6/h1-4,8,11H,5-6H2;2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;3-(4-fluorophenyl)azetidine?
butanoic acid;3-(4-fluorophenyl)azetidine has a molecular weight of 239.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;3-(4-fluorophenyl)azetidine is sourced from PubChem (CID 174902483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).