1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine

C8H14F2N2 — CID 162598593

IUPAC1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine
SMILESC=C(NC)C1C[C@H](C(F)F)CN1
InChIInChI=1S/C8H14F2N2/c1-5(11-2)7-3-6(4-12-7)8(9)10/h6-8,11-12H,1,3-4H2,2H3/t6-,7?/m0/s1
InChIKeyAPDGUBTYCNMCNU-PKPIPKONSA-N
MW176.21 g/mol
LogP0.96
Rot. Bonds3

About 1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine

1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine (PubChem CID 162598593) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine.

Molecular Properties

Compound Name1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine
PubChem CID162598593
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine
SMILESC=C(NC)C1C[C@H](C(F)F)CN1
InChIInChI=1S/C8H14F2N2/c1-5(11-2)7-3-6(4-12-7)8(9)10/h6-8,11-12H,1,3-4H2,2H3/t6-,7?/m0/s1
InChIKeyAPDGUBTYCNMCNU-PKPIPKONSA-N
XLogP0.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Ethyl-4-fluoro-2-methyl-5-methylidenepyrrolidine
CID 139386567
2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine
CID 155442418
1-(4,4-Difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane
CID 156824972
ethane;2,2,2-trifluoro-N-methyl-N-[[5-[1-(methylamino)ethenyl]pyrrolidin-2-yl]methyl]ethanamine
CID 172335133
4-fluoro-1-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-N-methylpyrrolidin-3-amine
CID 153547183
1-(4,4-Difluoro-1-methylpyrrolidin-2-yl)ethenamine
CID 156824973
2,2,2-trifluoro-N-methyl-N-[[5-[1-(methylamino)ethenyl]pyrrolidin-2-yl]methyl]ethanamine
CID 172335134
2-N-butyl-3-N,5-dimethylhex-1-ene-2,3-diamine
CID 134365827
1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenamine
CID 141960917
3-methyl-N-[1-(1-propylpyrrolidin-2-yl)ethenyl]butan-2-amine
CID 142079243
(2R)-2,4-dimethyl-1-N-[1-[(2S,3S)-3-methylpyrrolidin-2-yl]ethenyl]hex-5-ene-1,5-diamine
CID 142986526
N-ethyl-1-(4-methylpyrrolidin-2-yl)ethenamine
CID 144691864

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine?
The IUPAC name of 1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine (CID 162598593) is 1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine.
What is the SMILES notation for 1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine?
The canonical SMILES for 1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine is C=C(NC)C1C[C@H](C(F)F)CN1.
What is the InChIKey of 1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine?
The InChIKey is APDGUBTYCNMCNU-PKPIPKONSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-5(11-2)7-3-6(4-12-7)8(9)10/h6-8,11-12H,1,3-4H2,2H3/t6-,7?/m0/s1.
What are the key properties of 1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine?
1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine has a molecular weight of 176.21 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine is sourced from PubChem (CID 162598593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).