(3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine

C7H12FN — CID 146569442

IUPAC(3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine
SMILESC/C=C1/CN(C)CC1F
InChIInChI=1S/C7H12FN/c1-3-6-4-9(2)5-7(6)8/h3,7H,4-5H2,1-2H3/b6-3-
InChIKeyJUJKAYISCZIWBD-UTCJRWHESA-N
MW129.18 g/mol
LogP1.22
Rot. Bonds

About (3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine

(3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine (PubChem CID 146569442) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine
PubChem CID146569442
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine
SMILESC/C=C1/CN(C)CC1F
InChIInChI=1S/C7H12FN/c1-3-6-4-9(2)5-7(6)8/h3,7H,4-5H2,1-2H3/b6-3-
InChIKeyJUJKAYISCZIWBD-UTCJRWHESA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.22
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-(3,7-Dimethylocta-2,6-dienyl)pyrrolidine
CID 72951919
1-methyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 20612496
4-methyl-1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 68099687
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
1-Methyl-3-(2,2,2-trifluoroethyl)-2,5-dihydropyrrole
CID 117205457
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine
CID 121388651
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]pyrrolidine
CID 134549535
3-Propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 138507099
1-[(2E)-2-ethyl-5-methylhexa-2,4-dienyl]-3,3-difluoropyrrolidine
CID 139317991
(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine
CID 144607829

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine?
The IUPAC name of (3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine (CID 146569442) is (3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for (3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for (3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine is C/C=C1/CN(C)CC1F.
What is the InChIKey of (3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine?
The InChIKey is JUJKAYISCZIWBD-UTCJRWHESA-N. The full InChI is InChI=1S/C7H12FN/c1-3-6-4-9(2)5-7(6)8/h3,7H,4-5H2,1-2H3/b6-3-.
What are the key properties of (3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine?
(3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine has a molecular weight of 129.18 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 146569442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).