(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine

C9H12FN — CID 143823865

IUPAC(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine
SMILESC=C1CNC/C1=C/C=C\CF
InChIInChI=1S/C9H12FN/c1-8-6-11-7-9(8)4-2-3-5-10/h2-4,11H,1,5-7H2/b3-2-,9-4-
InChIKeyHVNPAGXSEPSYIC-UARZHTBLSA-N
MW153.20 g/mol
LogP1.60
Rot. Bonds2

About (3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine

(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine (PubChem CID 143823865) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is (3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine.

Molecular Properties

Compound Name(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine
PubChem CID143823865
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine
SMILESC=C1CNC/C1=C/C=C\CF
InChIInChI=1S/C9H12FN/c1-8-6-11-7-9(8)4-2-3-5-10/h2-4,11H,1,5-7H2/b3-2-,9-4-
InChIKeyHVNPAGXSEPSYIC-UARZHTBLSA-N
XLogP1.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70267953
(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
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
5-fluoro-2,3,4,5-tetrahydro-1H-isoindole
CID 123448216
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
(E)-2-ethyl-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]but-2-en-1-amine
CID 143135338
6-(2,2,2-Trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole
CID 143270887
1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
CID 143321404
(4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine
CID 143402727

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine?
The IUPAC name of (3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine (CID 143823865) is (3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine.
What is the SMILES notation for (3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine?
The canonical SMILES for (3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine is C=C1CNC/C1=C/C=C\CF.
What is the InChIKey of (3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine?
The InChIKey is HVNPAGXSEPSYIC-UARZHTBLSA-N. The full InChI is InChI=1S/C9H12FN/c1-8-6-11-7-9(8)4-2-3-5-10/h2-4,11H,1,5-7H2/b3-2-,9-4-.
What are the key properties of (3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine?
(3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine has a molecular weight of 153.20 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(Z)-4-fluorobut-2-enylidene]-4-methylidenepyrrolidine is sourced from PubChem (CID 143823865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).