1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine

C8H14FN — CID 155445689

IUPAC1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine
SMILESC=C1C(C(C)C)CCN1F
InChIInChI=1S/C8H14FN/c1-6(2)8-4-5-10(9)7(8)3/h6,8H,3-5H2,1-2H3
InChIKeyJSGGPWLTFUIUTI-UHFFFAOYSA-N
MW143.20 g/mol
LogP2.36
Rot. Bonds1

About 1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine

1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine (PubChem CID 155445689) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine
PubChem CID155445689
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine
SMILESC=C1C(C(C)C)CCN1F
InChIInChI=1S/C8H14FN/c1-6(2)8-4-5-10(9)7(8)3/h6,8H,3-5H2,1-2H3
InChIKeyJSGGPWLTFUIUTI-UHFFFAOYSA-N
XLogP2.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3,4-Trimethyl-2-methylidene-4-propan-2-ylpyrrolidine
CID 21336443
1,3-Dimethyl-2-methylidene-4-propylpyrrolidine
CID 58350240
1-Methyl-2-methylidene-3-propan-2-ylpyrrolidine
CID 58459907
N,N-dimethyl-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)prop-1-en-2-amine
CID 58493117
N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)prop-1-en-2-amine
CID 58493121
2-Methylidene-1,3-di(propan-2-yl)pyrrolidine
CID 58567522
1,3-Diethyl-2-methylidenepyrrolidine
CID 58975960
1,3-Ditert-butyl-2-methylidenepyrrolidine
CID 59096683
1-Methyl-2,5-dimethylidene-3-propan-2-ylpyrrolidine
CID 59916929
3-Butan-2-yl-1-ethyl-2,5-dimethylidenepyrrolidine
CID 59916936
1,2,3,4-Tetramethyl-5-methylidenepyrrolidine
CID 60031165
1,2,2,3,4-Pentamethyl-5-methylidenepyrrolidine
CID 60031168

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine (CID 155445689) is 1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine is C=C1C(C(C)C)CCN1F.
What is the InChIKey of 1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine?
The InChIKey is JSGGPWLTFUIUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-6(2)8-4-5-10(9)7(8)3/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine?
1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine has a molecular weight of 143.20 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methylidene-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 155445689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).