2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine

C10H20F2N2 — CID 168881496

IUPAC2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine
SMILESC/C=C\CC1CCCN1C.NC(F)F
InChIInChI=1S/C9H17N.CH3F2N/c1-3-4-6-9-7-5-8-10(9)2;2-1(3)4/h3-4,9H,5-8H2,1-2H3;1H,4H2/b4-3-;
InChIKeyRKSPIJLSLRKGQG-LNKPDPKZSA-N
MW206.28 g/mol
LogP2.21
Rot. Bonds2

About 2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine

2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine (PubChem CID 168881496) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine
PubChem CID168881496
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine
SMILESC/C=C\CC1CCCN1C.NC(F)F
InChIInChI=1S/C9H17N.CH3F2N/c1-3-4-6-9-7-5-8-10(9)2;2-1(3)4/h3-4,9H,5-8H2,1-2H3;1H,4H2/b4-3-;
InChIKeyRKSPIJLSLRKGQG-LNKPDPKZSA-N
XLogP2.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(Z)-6,6,7,7,7-pentafluorohept-1-enyl]pyrrolidine
CID 141306201
(2R)-2-[(2Z,4E)-4-(trifluoromethyl)hexa-2,4-dienyl]pyrrolidine
CID 145012025
2-[(2Z,4E)-4-(1,1-difluoroethyl)hepta-2,4-dienyl]pyrrolidine
CID 145012113
2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
CID 145110985
4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine
CID 155028665
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-N,4-dimethylpent-3-en-1-amine
CID 172334446
(E)-N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-N-methylpent-3-en-1-amine
CID 172334513
(E)-N-[2-(4,4-difluoropyrrolidin-2-yl)ethyl]-N-methylpent-3-en-1-amine
CID 172335012
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-N-methylpent-3-en-1-amine;ethane;molecular hydrogen;hydroiodide
CID 172335087
(E)-N-[(4-fluoropyrrolidin-2-yl)methyl]-N-methylpent-3-en-1-amine
CID 172335323
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-N-methylpent-3-en-1-amine;ethane;molecular hydrogen
CID 172335382
(E)-N-[(3,3-difluoropyrrolidin-2-yl)methyl]-N-methylpent-3-en-1-amine
CID 172335624

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine?
The IUPAC name of 2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine (CID 168881496) is 2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine.
What is the SMILES notation for 2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine?
The canonical SMILES for 2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine is C/C=C\CC1CCCN1C.NC(F)F.
What is the InChIKey of 2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine?
The InChIKey is RKSPIJLSLRKGQG-LNKPDPKZSA-N. The full InChI is InChI=1S/C9H17N.CH3F2N/c1-3-4-6-9-7-5-8-10(9)2;2-1(3)4/h3-4,9H,5-8H2,1-2H3;1H,4H2/b4-3-;.
What are the key properties of 2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine?
2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine has a molecular weight of 206.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]-1-methylpyrrolidine;difluoromethanamine is sourced from PubChem (CID 168881496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).