3-fluoro-2,2-dimethyl-3-phenylazetidine

C11H14FN — CID 13465232

IUPAC3-fluoro-2,2-dimethyl-3-phenylazetidine
SMILESCC1(C)NCC1(F)c1ccccc1
InChIInChI=1S/C11H14FN/c1-10(2)11(12,8-13-10)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3
InChIKeyIMQJVCSLSRMSSK-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.23
Rot. Bonds1

About 3-fluoro-2,2-dimethyl-3-phenylazetidine

3-fluoro-2,2-dimethyl-3-phenylazetidine (PubChem CID 13465232) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 3-fluoro-2,2-dimethyl-3-phenylazetidine.

Molecular Properties

Compound Name3-fluoro-2,2-dimethyl-3-phenylazetidine
PubChem CID13465232
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name3-fluoro-2,2-dimethyl-3-phenylazetidine
SMILESCC1(C)NCC1(F)c1ccccc1
InChIInChI=1S/C11H14FN/c1-10(2)11(12,8-13-10)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3
InChIKeyIMQJVCSLSRMSSK-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride
CID 115039892
2-(methylsulfanylmethyl)-2-phenylaziridine
CID 123890666
3,3-difluoro-4-methyl-4-phenylpyrrolidine
CID 115020965
6-methyl-6-phenyl-4-azaspiro[2.5]octane
CID 105453919
ethane;4-methyl-4-phenylpiperidine
CID 91476557
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
3-methyl-3-phenylpyrrolidine
CID 21098616
(3S)-3-methyl-3-phenylazetidin-2-one
CID 10329577
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
(2-bromo-2-fluoro-1,3,3-trimethylcyclopropyl)benzene
CID 134986145
2,2-diethyl-5-methyl-5-phenylpiperazine
CID 64884469

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2-dimethyl-3-phenylazetidine?
The IUPAC name of 3-fluoro-2,2-dimethyl-3-phenylazetidine (CID 13465232) is 3-fluoro-2,2-dimethyl-3-phenylazetidine.
What is the SMILES notation for 3-fluoro-2,2-dimethyl-3-phenylazetidine?
The canonical SMILES for 3-fluoro-2,2-dimethyl-3-phenylazetidine is CC1(C)NCC1(F)c1ccccc1.
What is the InChIKey of 3-fluoro-2,2-dimethyl-3-phenylazetidine?
The InChIKey is IMQJVCSLSRMSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-10(2)11(12,8-13-10)9-6-4-3-5-7-9/h3-7,13H,8H2,1-2H3.
What are the key properties of 3-fluoro-2,2-dimethyl-3-phenylazetidine?
3-fluoro-2,2-dimethyl-3-phenylazetidine has a molecular weight of 179.24 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2-dimethyl-3-phenylazetidine is sourced from PubChem (CID 13465232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).