4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene

C13H19FN2 — CID 143498263

IUPAC4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(/C=C/F)C2(CCNCC2)CN1
InChIInChI=1S/C13H19FN2/c1-2-3-12-11(4-7-14)13(10-16-12)5-8-15-9-6-13/h2-4,7,15-16H,5-6,8-10H2,1H3/b3-2-,7-4+
InChIKeyWZSFTPPMHRWAIK-UDJLOATDSA-N
MW222.31 g/mol
LogP2.27
Rot. Bonds2

About 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene

4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene (PubChem CID 143498263) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene
PubChem CID143498263
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene
SMILESC/C=C\C1=C(/C=C/F)C2(CCNCC2)CN1
InChIInChI=1S/C13H19FN2/c1-2-3-12-11(4-7-14)13(10-16-12)5-8-15-9-6-13/h2-4,7,15-16H,5-6,8-10H2,1H3/b3-2-,7-4+
InChIKeyWZSFTPPMHRWAIK-UDJLOATDSA-N
XLogP2.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene with MolForge

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Related Compounds

5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
4-[4-(3-Fluoro-3-methylpyrrolidin-1-yl)penta-2,4-dien-2-yl]piperidine
CID 123309603
4-[(1E,3Z,5Z)-1-fluorohepta-1,3,5-trien-4-yl]piperidine
CID 134365700
(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
CID 134604072
3-Fluoro-5-methyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine
CID 135135496
(3Z,5E)-4-fluoro-6-(1-methylpiperidin-4-yl)hepta-3,5-dien-3-amine
CID 137483340
4-(4-Fluoropiperidin-4-yl)-1,3-dimethylcyclohepta-2,4,6-trien-1-amine
CID 143235238
3-[(3E,5Z)-3-fluoro-2-methylidenehepta-3,5-dienyl]-3-methylpiperidine
CID 144407199
5-[(1Z)-3-(4-fluoro-4-methylpiperidin-1-yl)buta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 145128277
(10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene
CID 155573741

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene?
The IUPAC name of 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene (CID 143498263) is 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene?
The canonical SMILES for 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene is C/C=C\C1=C(/C=C/F)C2(CCNCC2)CN1.
What is the InChIKey of 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene?
The InChIKey is WZSFTPPMHRWAIK-UDJLOATDSA-N. The full InChI is InChI=1S/C13H19FN2/c1-2-3-12-11(4-7-14)13(10-16-12)5-8-15-9-6-13/h2-4,7,15-16H,5-6,8-10H2,1H3/b3-2-,7-4+.
What are the key properties of 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene?
4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene has a molecular weight of 222.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-fluoroethenyl]-3-[(Z)-prop-1-enyl]-2,8-diazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 143498263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).