1-benzyl-3-fluoro-3-propan-2-ylazetidine

C13H18FN — CID 163258397

IUPAC1-benzyl-3-fluoro-3-propan-2-ylazetidine
SMILESCC(C)C1(F)CN(Cc2ccccc2)C1
InChIInChI=1S/C13H18FN/c1-11(2)13(14)9-15(10-13)8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyQTDKEZSNZZUIHB-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.87
Rot. Bonds3

About 1-benzyl-3-fluoro-3-propan-2-ylazetidine

1-benzyl-3-fluoro-3-propan-2-ylazetidine (PubChem CID 163258397) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-benzyl-3-fluoro-3-propan-2-ylazetidine.

Molecular Properties

Compound Name1-benzyl-3-fluoro-3-propan-2-ylazetidine
PubChem CID163258397
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-benzyl-3-fluoro-3-propan-2-ylazetidine
SMILESCC(C)C1(F)CN(Cc2ccccc2)C1
InChIInChI=1S/C13H18FN/c1-11(2)13(14)9-15(10-13)8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyQTDKEZSNZZUIHB-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-3,3,4,4-tetrafluoropyrrolidine;hydrochloride
CID 22645922
1-benzyl-3-chloro-3-(1-chloroethyl)azetidine
CID 102361732
(1-benzyl-3-fluoroazetidin-3-yl)methanol
CID 146012965
[1-benzyl-4-(hydroxymethyl)-3,4-dimethylpyrrolidin-3-yl]methanol
CID 72620554
1-benzyl-3-chloro-3-ethylazetidine
CID 135395939
1-benzyl-3-methylazetidin-3-ol;hydrochloride
CID 155289836
1-benzyl-3,3-difluoro-5,5-dimethylpiperidin-4-ol
CID 131168959
4-benzyl-1-methylpiperazine-2,2,6,6-tetrol
CID 129179319
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-3-fluoro-3-propan-2-ylazetidine
CID 130184584
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 83825251

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-fluoro-3-propan-2-ylazetidine?
The IUPAC name of 1-benzyl-3-fluoro-3-propan-2-ylazetidine (CID 163258397) is 1-benzyl-3-fluoro-3-propan-2-ylazetidine.
What is the SMILES notation for 1-benzyl-3-fluoro-3-propan-2-ylazetidine?
The canonical SMILES for 1-benzyl-3-fluoro-3-propan-2-ylazetidine is CC(C)C1(F)CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-fluoro-3-propan-2-ylazetidine?
The InChIKey is QTDKEZSNZZUIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-11(2)13(14)9-15(10-13)8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-3-fluoro-3-propan-2-ylazetidine?
1-benzyl-3-fluoro-3-propan-2-ylazetidine has a molecular weight of 207.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-fluoro-3-propan-2-ylazetidine is sourced from PubChem (CID 163258397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).