3-fluoro-3-(3-methylbut-2-enyl)azetidine

C8H14FN — CID 122239921

IUPAC3-fluoro-3-(3-methylbut-2-enyl)azetidine
SMILESCC(C)=CCC1(F)CNC1
InChIInChI=1S/C8H14FN/c1-7(2)3-4-8(9)5-10-6-8/h3,10H,4-6H2,1-2H3
InChIKeyUFBBOHDYDOBCCD-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.65
Rot. Bonds2

About 3-fluoro-3-(3-methylbut-2-enyl)azetidine

3-fluoro-3-(3-methylbut-2-enyl)azetidine (PubChem CID 122239921) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-fluoro-3-(3-methylbut-2-enyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(3-methylbut-2-enyl)azetidine
PubChem CID122239921
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-fluoro-3-(3-methylbut-2-enyl)azetidine
SMILESCC(C)=CCC1(F)CNC1
InChIInChI=1S/C8H14FN/c1-7(2)3-4-8(9)5-10-6-8/h3,10H,4-6H2,1-2H3
InChIKeyUFBBOHDYDOBCCD-UHFFFAOYSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-3-prop-1-en-2-ylazetidine
CID 112563600
3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine
CID 138638612
3-[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]azetidine
CID 166468940
3-(fluoromethyl)-3-[(3E)-hexa-1,3,5-trien-3-yl]azetidine
CID 177996132
3-Fluoro-3-(2-methylprop-1-enyl)azetidine
CID 112563389
2-fluoro-N,5-dimethylhex-4-en-1-amine
CID 122239915
(2R)-2-fluoro-N,5-dimethylhex-4-en-1-amine
CID 129532077
(2S)-2-fluoro-N,5-dimethylhex-4-en-1-amine
CID 129532078
3-(2,7-Dimethylnona-2,4,6-trien-5-yl)azetidine
CID 123441881
3-[(E)-2-methylbut-2-enyl]azetidine
CID 138638628
3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]azetidine
CID 145430038
3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]azetidine
CID 157035974

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-methylbut-2-enyl)azetidine?
The IUPAC name of 3-fluoro-3-(3-methylbut-2-enyl)azetidine (CID 122239921) is 3-fluoro-3-(3-methylbut-2-enyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(3-methylbut-2-enyl)azetidine?
The canonical SMILES for 3-fluoro-3-(3-methylbut-2-enyl)azetidine is CC(C)=CCC1(F)CNC1.
What is the InChIKey of 3-fluoro-3-(3-methylbut-2-enyl)azetidine?
The InChIKey is UFBBOHDYDOBCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-7(2)3-4-8(9)5-10-6-8/h3,10H,4-6H2,1-2H3.
What are the key properties of 3-fluoro-3-(3-methylbut-2-enyl)azetidine?
3-fluoro-3-(3-methylbut-2-enyl)azetidine has a molecular weight of 143.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-methylbut-2-enyl)azetidine is sourced from PubChem (CID 122239921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).