(4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine

C10H12FN — CID 143402727

IUPAC(4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine
SMILESC=CC=C=C1CNC/C1=C(/C)F
InChIInChI=1S/C10H12FN/c1-3-4-5-9-6-12-7-10(9)8(2)11/h3-4,12H,1,6-7H2,2H3/b10-8+
InChIKeyVQTXTFZFVXFRHY-CSKARUKUSA-N
MW165.21 g/mol
LogP2.10
Rot. Bonds1

About (4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine

(4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine (PubChem CID 143402727) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine.

Molecular Properties

Compound Name(4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine
PubChem CID143402727
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine
SMILESC=CC=C=C1CNC/C1=C(/C)F
InChIInChI=1S/C10H12FN/c1-3-4-5-9-6-12-7-10(9)8(2)11/h3-4,12H,1,6-7H2,2H3/b10-8+
InChIKeyVQTXTFZFVXFRHY-CSKARUKUSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine
CID 121388651
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]pyrrolidine
CID 134549535
(2E)-N-(2-fluoroethyl)-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
CID 141974143
1-(2-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 142558621

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine?
The IUPAC name of (4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine (CID 143402727) is (4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine.
What is the SMILES notation for (4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine?
The canonical SMILES for (4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine is C=CC=C=C1CNC/C1=C(/C)F.
What is the InChIKey of (4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine?
The InChIKey is VQTXTFZFVXFRHY-CSKARUKUSA-N. The full InChI is InChI=1S/C10H12FN/c1-3-4-5-9-6-12-7-10(9)8(2)11/h3-4,12H,1,6-7H2,2H3/b10-8+.
What are the key properties of (4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine?
(4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine has a molecular weight of 165.21 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine is sourced from PubChem (CID 143402727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).