4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol

C13H18FNO2 — CID 161259641

IUPAC4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol
SMILESOCCCCN1CC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNO2/c14-11-3-5-12(6-4-11)17-13-9-15(10-13)7-1-2-8-16/h3-6,13,16H,1-2,7-10H2
InChIKeyVCJPJQOVOBQNLP-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.66
Rot. Bonds6

About 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol

4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol (PubChem CID 161259641) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol
PubChem CID161259641
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol
SMILESOCCCCN1CC(Oc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FNO2/c14-11-3-5-12(6-4-11)17-13-9-15(10-13)7-1-2-8-16/h3-6,13,16H,1-2,7-10H2
InChIKeyVCJPJQOVOBQNLP-UHFFFAOYSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-1-ol
CID 111381858
1-ethyl-3-(4-fluorophenoxy)azetidine
CID 89379644
4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenol
CID 139408666
2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid
CID 64616475
3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
CID 111423473
1-(3,4-difluorophenyl)-3-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]propyl]urea
CID 11696845
4-(3-phenylazetidin-1-yl)butan-1-ol
CID 106844153
2-(dimethylamino)-1-[3-(4-fluorophenoxy)azetidin-1-yl]propan-1-one
CID 119073145
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
2-chloro-1-[(3S)-3-(4-fluorophenoxy)pyrrolidin-1-yl]ethanone
CID 166407433
2-[4-chloro-2-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]phenoxy]acetic acid
CID 77090451
4-[1-(3-fluoropropyl)pyrrolidin-3-yl]oxybenzoyl chloride
CID 134520891

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol?
The IUPAC name of 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol (CID 161259641) is 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol is OCCCCN1CC(Oc2ccc(F)cc2)C1.
What is the InChIKey of 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol?
The InChIKey is VCJPJQOVOBQNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-11-3-5-12(6-4-11)17-13-9-15(10-13)7-1-2-8-16/h3-6,13,16H,1-2,7-10H2.
What are the key properties of 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol?
4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol has a molecular weight of 239.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenoxy)azetidin-1-yl]butan-1-ol is sourced from PubChem (CID 161259641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).