3-fluoro-1-(4-propan-2-ylphenyl)azetidine

C12H16FN — CID 155453609

IUPAC3-fluoro-1-(4-propan-2-ylphenyl)azetidine
SMILESCC(C)c1ccc(N2CC(F)C2)cc1
InChIInChI=1S/C12H16FN/c1-9(2)10-3-5-12(6-4-10)14-7-11(13)8-14/h3-6,9,11H,7-8H2,1-2H3
InChIKeyYXWANJDKDGWZIU-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.97
Rot. Bonds2

About 3-fluoro-1-(4-propan-2-ylphenyl)azetidine

3-fluoro-1-(4-propan-2-ylphenyl)azetidine (PubChem CID 155453609) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 3-fluoro-1-(4-propan-2-ylphenyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(4-propan-2-ylphenyl)azetidine
PubChem CID155453609
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name3-fluoro-1-(4-propan-2-ylphenyl)azetidine
SMILESCC(C)c1ccc(N2CC(F)C2)cc1
InChIInChI=1S/C12H16FN/c1-9(2)10-3-5-12(6-4-10)14-7-11(13)8-14/h3-6,9,11H,7-8H2,1-2H3
InChIKeyYXWANJDKDGWZIU-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-ylphenyl)azetidin-3-amine
CID 117002806
(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
CID 164952945
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
2-(4-propan-2-ylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121262109
3-(4-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 170442503
(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 93285656
3-butyl-1-(4-propan-2-ylphenyl)azetidine
CID 178164726
3-fluoro-1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 138715501
3-fluoro-1-[4-(3-fluoroazetidin-1-yl)phenyl]-1-methoxypropan-2-amine
CID 145467339
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
4-(3-fluoroazetidin-1-yl)benzonitrile
CID 105436418
1-fluoro-3-[4-(3-fluoropyrrolidin-1-yl)phenyl]butan-2-amine
CID 134316430

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(4-propan-2-ylphenyl)azetidine?
The IUPAC name of 3-fluoro-1-(4-propan-2-ylphenyl)azetidine (CID 155453609) is 3-fluoro-1-(4-propan-2-ylphenyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(4-propan-2-ylphenyl)azetidine?
The canonical SMILES for 3-fluoro-1-(4-propan-2-ylphenyl)azetidine is CC(C)c1ccc(N2CC(F)C2)cc1.
What is the InChIKey of 3-fluoro-1-(4-propan-2-ylphenyl)azetidine?
The InChIKey is YXWANJDKDGWZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-9(2)10-3-5-12(6-4-10)14-7-11(13)8-14/h3-6,9,11H,7-8H2,1-2H3.
What are the key properties of 3-fluoro-1-(4-propan-2-ylphenyl)azetidine?
3-fluoro-1-(4-propan-2-ylphenyl)azetidine has a molecular weight of 193.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(4-propan-2-ylphenyl)azetidine is sourced from PubChem (CID 155453609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).