1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine

C9H16FN — CID 170382534

IUPAC1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1(F)CCN(CC)C1
InChIInChI=1S/C9H16FN/c1-4-11-6-5-9(10,7-11)8(2)3/h2,4-7H2,1,3H3
InChIKeyKBYLZPVRJAMWIR-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds2

About 1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine

1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine (PubChem CID 170382534) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine
PubChem CID170382534
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1(F)CCN(CC)C1
InChIInChI=1S/C9H16FN/c1-4-11-6-5-9(10,7-11)8(2)3/h2,4-7H2,1,3H3
InChIKeyKBYLZPVRJAMWIR-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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'}

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Related Compounds

3-But-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
CID 123887053
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)pyrrolidine
CID 134384140
1-(1,2-Difluoro-2,3-dimethylbut-3-enyl)pyrrolidine
CID 134531049
1-(2-Fluoro-2-methylbutyl)-3-prop-1-en-2-ylpyrrolidine
CID 154974300
(3R)-1-[(4S)-2-ethyl-4-methylhex-5-enyl]-3-fluoropyrrolidine
CID 167009671
1-(4-Ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine
CID 167009907
(3R)-1-(3-fluoropropyl)-3-prop-1-en-2-ylpyrrolidine
CID 167072840
4-fluoro-2-methylidene-N-(2-methylprop-2-enyl)-N-propylpentan-1-amine
CID 167217035
(4Z)-2-ethyl-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 170622490
1-[(2S)-2-ethyl-3,4-dimethylpent-4-enyl]-3,3-difluoropyrrolidine
CID 173941052
(2S)-2-(fluoromethyl)-4-methylidene-1-(2-methylpropyl)pyrrolidine
CID 174855048
(1R)-1-ethyl-2-(2-fluoroethyl)-1,2-dimethyl-3-methylidenepyrrolidin-1-ium
CID 175614657

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine (CID 170382534) is 1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine is C=C(C)C1(F)CCN(CC)C1.
What is the InChIKey of 1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine?
The InChIKey is KBYLZPVRJAMWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-4-11-6-5-9(10,7-11)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of 1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine?
1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-3-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 170382534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).