3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine

C18H24FNO — CID 102902614

IUPAC3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
SMILESFc1cccc(C2(CC3CCC4(CCCC4)O3)CNC2)c1
InChIInChI=1S/C18H24FNO/c19-15-5-3-4-14(10-15)17(12-20-13-17)11-16-6-9-18(21-16)7-1-2-8-18/h3-5,10,16,20H,1-2,6-9,11-13H2
InChIKeyANGXJKRYGHUCQF-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.55
Rot. Bonds3

About 3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine

3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine (PubChem CID 102902614) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
PubChem CID102902614
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
SMILESFc1cccc(C2(CC3CCC4(CCCC4)O3)CNC2)c1
InChIInChI=1S/C18H24FNO/c19-15-5-3-4-14(10-15)17(12-20-13-17)11-16-6-9-18(21-16)7-1-2-8-18/h3-5,10,16,20H,1-2,6-9,11-13H2
InChIKeyANGXJKRYGHUCQF-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
CID 102902619
3-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)azetidine
CID 79460683
2-[(3S)-3-(3-fluorophenyl)piperidin-3-yl]ethanol
CID 46244139
3-(3-fluorophenyl)-3-(methoxymethyl)azetidine
CID 103985393
3-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine
CID 102902632
(3R)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]oxolan-3-amine
CID 125448466
3-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)azetidine
CID 79460489
4-fluoro-2-(1-oxaspiro[4.5]decan-2-ylmethylsulfanyl)aniline
CID 102898429
2-[(4-fluoro-2-methylphenoxy)methyl]-1-oxaspiro[4.4]nonane
CID 102901535
3-(2-butoxyethyl)-3-(3-fluorophenyl)azetidine
CID 79461082
4-fluoro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)aniline
CID 102896120
2-[(9R)-9-(3-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
CID 140624928

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
The IUPAC name of 3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine (CID 102902614) is 3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
The canonical SMILES for 3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine is Fc1cccc(C2(CC3CCC4(CCCC4)O3)CNC2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
The InChIKey is ANGXJKRYGHUCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c19-15-5-3-4-14(10-15)17(12-20-13-17)11-16-6-9-18(21-16)7-1-2-8-18/h3-5,10,16,20H,1-2,6-9,11-13H2.
What are the key properties of 3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine?
3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine has a molecular weight of 289.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)azetidine is sourced from PubChem (CID 102902614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).