3-fluoro-3-(2-phenylpropyl)azetidine

C12H16FN — CID 130835142

IUPAC3-fluoro-3-(2-phenylpropyl)azetidine
SMILESCC(CC1(F)CNC1)c1ccccc1
InChIInChI=1S/C12H16FN/c1-10(7-12(13)8-14-9-12)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3
InChIKeyPBJUNNLICRYRQZ-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.49
Rot. Bonds3

About 3-fluoro-3-(2-phenylpropyl)azetidine

3-fluoro-3-(2-phenylpropyl)azetidine (PubChem CID 130835142) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 3-fluoro-3-(2-phenylpropyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(2-phenylpropyl)azetidine
PubChem CID130835142
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name3-fluoro-3-(2-phenylpropyl)azetidine
SMILESCC(CC1(F)CNC1)c1ccccc1
InChIInChI=1S/C12H16FN/c1-10(7-12(13)8-14-9-12)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3
InChIKeyPBJUNNLICRYRQZ-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenylpropyl)cyclopentan-1-ol
CID 173409519
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
1,3-difluoro-2-(2-phenylpropoxy)benzene;ethane
CID 145463800
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104
1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene
CID 151613800
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
[(1S)-1-phenylethyl]azanium
CID 7855572
3-fluoro-3-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 122239730
(3R)-3-phenylbutanal
CID 10877278
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-phenylpropyl)azetidine?
The IUPAC name of 3-fluoro-3-(2-phenylpropyl)azetidine (CID 130835142) is 3-fluoro-3-(2-phenylpropyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(2-phenylpropyl)azetidine?
The canonical SMILES for 3-fluoro-3-(2-phenylpropyl)azetidine is CC(CC1(F)CNC1)c1ccccc1.
What is the InChIKey of 3-fluoro-3-(2-phenylpropyl)azetidine?
The InChIKey is PBJUNNLICRYRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-10(7-12(13)8-14-9-12)11-5-3-2-4-6-11/h2-6,10,14H,7-9H2,1H3.
What are the key properties of 3-fluoro-3-(2-phenylpropyl)azetidine?
3-fluoro-3-(2-phenylpropyl)azetidine has a molecular weight of 193.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-phenylpropyl)azetidine is sourced from PubChem (CID 130835142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).