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

C9H18F2N2 — CID 156824972

IUPAC1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane
SMILESC=C(N)C1CC(F)(F)CN1C.CC
InChIInChI=1S/C7H12F2N2.C2H6/c1-5(10)6-3-7(8,9)4-11(6)2;1-2/h6H,1,3-4,10H2,2H3;1-2H3
InChIKeyCNCPEBLVRJFXHR-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.82
Rot. Bonds1

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

1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane (PubChem CID 156824972) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane.

Molecular Properties

Compound Name1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane
PubChem CID156824972
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane
SMILESC=C(N)C1CC(F)(F)CN1C.CC
InChIInChI=1S/C7H12F2N2.C2H6/c1-5(10)6-3-7(8,9)4-11(6)2;1-2/h6H,1,3-4,10H2,2H3;1-2H3
InChIKeyCNCPEBLVRJFXHR-UHFFFAOYSA-N
XLogP1.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.82
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
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
N-[[(2S)-4,4-difluoro-1-methyl-5-methylidenepyrrolidin-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 169914300
N-[[(2R)-4,4-difluoro-1-methyl-5-methylidenepyrrolidin-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 169914941
ethane;2,2,2-trifluoro-N-methyl-N-[[5-[1-(methylamino)ethenyl]pyrrolidin-2-yl]methyl]ethanamine
CID 172335133
1-(4,4-Difluoro-1-methylpyrrolidin-2-yl)ethenamine
CID 156824973
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
(Z)-N,N-dimethyl-1-[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-2-yl]pent-1-en-1-amine
CID 172335255

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane?
The IUPAC name of 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane (CID 156824972) is 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane.
What is the SMILES notation for 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane?
The canonical SMILES for 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane is C=C(N)C1CC(F)(F)CN1C.CC.
What is the InChIKey of 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane?
The InChIKey is CNCPEBLVRJFXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2.C2H6/c1-5(10)6-3-7(8,9)4-11(6)2;1-2/h6H,1,3-4,10H2,2H3;1-2H3.
What are the key properties of 1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane?
1-(4,4-difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane has a molecular weight of 192.25 g/mol, XLogP of 1.82, 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;ethane is sourced from PubChem (CID 156824972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).