3-fluoro-3-prop-1-en-2-yl-1-propylazetidine

C9H16FN — CID 167065493

IUPAC3-fluoro-3-prop-1-en-2-yl-1-propylazetidine
SMILESC=C(C)C1(F)CN(CCC)C1
InChIInChI=1S/C9H16FN/c1-4-5-11-6-9(10,7-11)8(2)3/h2,4-7H2,1,3H3
InChIKeyDQWPKCVZSFDATE-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds3

About 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine

3-fluoro-3-prop-1-en-2-yl-1-propylazetidine (PubChem CID 167065493) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine.

Molecular Properties

Compound Name3-fluoro-3-prop-1-en-2-yl-1-propylazetidine
PubChem CID167065493
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-3-prop-1-en-2-yl-1-propylazetidine
SMILESC=C(C)C1(F)CN(CCC)C1
InChIInChI=1S/C9H16FN/c1-4-5-11-6-9(10,7-11)8(2)3/h2,4-7H2,1,3H3
InChIKeyDQWPKCVZSFDATE-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-methyl-2-methylidene-N-propylbutan-1-amine
CID 169605942
3,3-Difluoro-1-(3-methylbut-3-enyl)azetidine
CID 174352272
3-Fluoro-1-(3-methylbut-3-enyl)azetidine
CID 174354903
(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-Propan-2-yl-3-prop-1-en-2-ylazetidine
CID 22896273
1-Ethyl-3-prop-1-en-2-ylazetidine
CID 143044281
3-Methyl-1-propan-2-yl-3-prop-1-en-2-ylazetidine
CID 163257402
1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine
CID 177053855
1-(3-Methylbut-3-enyl)azetidine
CID 12466292
2,3-Dimethyl-1-(2-methylidenebutyl)azetidine
CID 130714000

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine?
The IUPAC name of 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine (CID 167065493) is 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine.
What is the SMILES notation for 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine?
The canonical SMILES for 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine is C=C(C)C1(F)CN(CCC)C1.
What is the InChIKey of 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine?
The InChIKey is DQWPKCVZSFDATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-4-5-11-6-9(10,7-11)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine?
3-fluoro-3-prop-1-en-2-yl-1-propylazetidine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-prop-1-en-2-yl-1-propylazetidine is sourced from PubChem (CID 167065493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).