3-ethylidene-1-(3-fluoropropyl)azetidine

C8H14FN — CID 139336467

IUPAC3-ethylidene-1-(3-fluoropropyl)azetidine
SMILESCC=C1CN(CCCF)C1
InChIInChI=1S/C8H14FN/c1-2-8-6-10(7-8)5-3-4-9/h2H,3-7H2,1H3
InChIKeyCSXXIDUCKXZDEZ-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.61
Rot. Bonds3

About 3-ethylidene-1-(3-fluoropropyl)azetidine

3-ethylidene-1-(3-fluoropropyl)azetidine (PubChem CID 139336467) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-ethylidene-1-(3-fluoropropyl)azetidine.

Molecular Properties

Compound Name3-ethylidene-1-(3-fluoropropyl)azetidine
PubChem CID139336467
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-ethylidene-1-(3-fluoropropyl)azetidine
SMILESCC=C1CN(CCCF)C1
InChIInChI=1S/C8H14FN/c1-2-8-6-10(7-8)5-3-4-9/h2H,3-7H2,1H3
InChIKeyCSXXIDUCKXZDEZ-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-Methylallyl)azetidine
CID 550700
1-Tert-butyl-3-ethylideneazetidine
CID 102361734
1-(2-Fluoroethyl)-3-methyl-2,5-dihydropyrrole
CID 88589108
1-(3-Fluoropropyl)-3-methylideneazetidine
CID 139336353
3-(2,2-Dimethylpropylidene)-1-(3-fluoropropyl)azetidine
CID 155265328
1-(3-Fluoropropyl)-3-(2-methylpropylidene)azetidine
CID 155265343
3,3-Difluoro-1-(2-methylprop-2-enyl)azetidine
CID 166696193
1-But-2-enyl-3-fluoroazetidine
CID 175815484
3-(Fluoromethylidene)-1-methylazetidine
CID 178087846
3-(Fluoromethyl)-1-methyl-2,5-dihydropyrrole
CID 117205462
1-Ethyl-3-(fluoromethyl)-2,5-dihydropyrrole
CID 117205465
1-(2-Methylprop-2-enyl)-3-(trifluoromethyl)azetidine
CID 130723540

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-1-(3-fluoropropyl)azetidine?
The IUPAC name of 3-ethylidene-1-(3-fluoropropyl)azetidine (CID 139336467) is 3-ethylidene-1-(3-fluoropropyl)azetidine.
What is the SMILES notation for 3-ethylidene-1-(3-fluoropropyl)azetidine?
The canonical SMILES for 3-ethylidene-1-(3-fluoropropyl)azetidine is CC=C1CN(CCCF)C1.
What is the InChIKey of 3-ethylidene-1-(3-fluoropropyl)azetidine?
The InChIKey is CSXXIDUCKXZDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-2-8-6-10(7-8)5-3-4-9/h2H,3-7H2,1H3.
What are the key properties of 3-ethylidene-1-(3-fluoropropyl)azetidine?
3-ethylidene-1-(3-fluoropropyl)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-ethylidene-1-(3-fluoropropyl)azetidine is sourced from PubChem (CID 139336467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).