3-fluoro-1-(3-methylbut-3-enyl)azetidine

C8H14FN — CID 174354903

IUPAC3-fluoro-1-(3-methylbut-3-enyl)azetidine
SMILESC=C(C)CCN1CC(F)C1
InChIInChI=1S/C8H14FN/c1-7(2)3-4-10-5-8(9)6-10/h8H,1,3-6H2,2H3
InChIKeyJWOKCFNJZKHXOC-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.61
Rot. Bonds3

About 3-fluoro-1-(3-methylbut-3-enyl)azetidine

3-fluoro-1-(3-methylbut-3-enyl)azetidine (PubChem CID 174354903) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-fluoro-1-(3-methylbut-3-enyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(3-methylbut-3-enyl)azetidine
PubChem CID174354903
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-fluoro-1-(3-methylbut-3-enyl)azetidine
SMILESC=C(C)CCN1CC(F)C1
InChIInChI=1S/C8H14FN/c1-7(2)3-4-10-5-8(9)6-10/h8H,1,3-6H2,2H3
InChIKeyJWOKCFNJZKHXOC-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Ethylbuta-2,3-dienyl)-3,3-difluoroazetidine
CID 161100169
N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
CID 166140934
3-Fluoro-3-prop-1-en-2-yl-1-propylazetidine
CID 167065493
4-fluoro-N-methyl-2-methylidene-N-propylbutan-1-amine
CID 169605942
3,3-Difluoro-1-(3-methylbut-3-enyl)azetidine
CID 174352272
(2R,3E)-3-(fluoromethylidene)-2-methyl-1-propan-2-ylazetidine
CID 178952579
(2R,3Z)-3-(fluoromethylidene)-2-methyl-1-propan-2-ylazetidine
CID 178952801
1-Butyl-3-methylideneazetidine
CID 139336487
1-Ethyl-3-prop-1-en-2-ylazetidine
CID 143044281
1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine
CID 177053855
(2R)-2-methyl-3-methylidene-1-propan-2-ylazetidine
CID 178088309
(2S)-2-methyl-3-methylidene-1-propan-2-ylazetidine
CID 178952780

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-methylbut-3-enyl)azetidine?
The IUPAC name of 3-fluoro-1-(3-methylbut-3-enyl)azetidine (CID 174354903) is 3-fluoro-1-(3-methylbut-3-enyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(3-methylbut-3-enyl)azetidine?
The canonical SMILES for 3-fluoro-1-(3-methylbut-3-enyl)azetidine is C=C(C)CCN1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(3-methylbut-3-enyl)azetidine?
The InChIKey is JWOKCFNJZKHXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-7(2)3-4-10-5-8(9)6-10/h8H,1,3-6H2,2H3.
What are the key properties of 3-fluoro-1-(3-methylbut-3-enyl)azetidine?
3-fluoro-1-(3-methylbut-3-enyl)azetidine has a molecular weight of 143.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-methylbut-3-enyl)azetidine is sourced from PubChem (CID 174354903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).