1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine

C9H15F2N — CID 170768263

IUPAC1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine
SMILESC=C(CC(F)F)N1CCC(C)C1
InChIInChI=1S/C9H15F2N/c1-7-3-4-12(6-7)8(2)5-9(10)11/h7,9H,2-6H2,1H3
InChIKeyHQBFBLMTFJLYNL-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.50
Rot. Bonds3

About 1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine

1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine (PubChem CID 170768263) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine.

Molecular Properties

Compound Name1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine
PubChem CID170768263
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine
SMILESC=C(CC(F)F)N1CCC(C)C1
InChIInChI=1S/C9H15F2N/c1-7-3-4-12(6-7)8(2)5-9(10)11/h7,9H,2-6H2,1H3
InChIKeyHQBFBLMTFJLYNL-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolidine, 1-(2-methyl-1-methylenepropyl)-
CID 10964593
1-(4-Methylpent-1-en-2-yl)pyrrolidine
CID 16736184
4,4-Difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine
CID 142433939
3,3-Difluoro-1-prop-1-en-2-ylpyrrolidine
CID 143542129
4-Fluoro-1,4-dimethyl-2-methylidenepyrrolidine
CID 145542853
1-(4,4-Dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine
CID 146229196
4,4-Difluoro-1-methyl-2-methylidenepyrrolidine
CID 146609473
1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine
CID 153363765
4-Ethyl-3,3-difluoro-1-prop-1-en-2-ylpyrrolidine
CID 156329290
(4S)-1-(2-fluoropropyl)-4-methyl-2-methylidenepyrrolidine
CID 156479681
1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine
CID 165128792
N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 166105305

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine?
The IUPAC name of 1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine (CID 170768263) is 1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine.
What is the SMILES notation for 1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine?
The canonical SMILES for 1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine is C=C(CC(F)F)N1CCC(C)C1.
What is the InChIKey of 1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine?
The InChIKey is HQBFBLMTFJLYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7-3-4-12(6-7)8(2)5-9(10)11/h7,9H,2-6H2,1H3.
What are the key properties of 1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine?
1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobut-1-en-2-yl)-3-methylpyrrolidine is sourced from PubChem (CID 170768263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).