1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine

C7H12F2N2 — CID 156824973

IUPAC1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine
SMILESC=C(N)C1CC(F)(F)CN1C
InChIInChI=1S/C7H12F2N2/c1-5(10)6-3-7(8,9)4-11(6)2/h6H,1,3-4,10H2,2H3
InChIKeyMUGWPAPJZQEFFL-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.80
Rot. Bonds1

About 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine

1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine (PubChem CID 156824973) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine.

Molecular Properties

Compound Name1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine
PubChem CID156824973
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine
SMILESC=C(N)C1CC(F)(F)CN1C
InChIInChI=1S/C7H12F2N2/c1-5(10)6-3-7(8,9)4-11(6)2/h6H,1,3-4,10H2,2H3
InChIKeyMUGWPAPJZQEFFL-UHFFFAOYSA-N
XLogP0.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile
CID 138720105
1-(4,4-Difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane
CID 156824972
3-(3,3-Difluoropyrrolidin-1-yl)but-3-en-2-amine
CID 156826826
2-(4,4-Difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane
CID 166162381
1-[5-[[2-fluoroethyl(methyl)amino]methyl]pyrrolidin-2-yl]-N,N-dimethylethenamine
CID 168883344
ethane;2,2,2-trifluoro-N-methyl-N-[[5-[1-(methylamino)ethenyl]pyrrolidin-2-yl]methyl]ethanamine
CID 172335133
1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine
CID 162598593
2-(4,4-Difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine
CID 166162382
2,2,2-trifluoro-N-methyl-N-[[5-[1-(methylamino)ethenyl]pyrrolidin-2-yl]methyl]ethanamine
CID 172335134
N-methyl-1-pyrrolidin-2-ylethenamine
CID 142902514
1-(1-Methylpyrrolidin-2-yl)ethenamine
CID 143166918
1-[(2S)-1-methylpyrrolidin-2-yl]ethenamine
CID 143182322

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine?
The IUPAC name of 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine (CID 156824973) is 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine.
What is the SMILES notation for 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine?
The canonical SMILES for 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine is C=C(N)C1CC(F)(F)CN1C.
What is the InChIKey of 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine?
The InChIKey is MUGWPAPJZQEFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-5(10)6-3-7(8,9)4-11(6)2/h6H,1,3-4,10H2,2H3.
What are the key properties of 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine?
1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine has a molecular weight of 162.18 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine is sourced from PubChem (CID 156824973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).