1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine

C10H18F2N2 — CID 147703077

IUPAC1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine
SMILESC=C(C)[C@@H]1CC(CNC(F)F)CN1C
InChIInChI=1S/C10H18F2N2/c1-7(2)9-4-8(6-14(9)3)5-13-10(11)12/h8-10,13H,1,4-6H2,2-3H3/t8?,9-/m0/s1
InChIKeyGTFWIEBJUQZPLC-GKAPJAKFSA-N
MW204.26 g/mol
LogP1.70
Rot. Bonds4

About 1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine

1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine (PubChem CID 147703077) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine
PubChem CID147703077
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine
SMILESC=C(C)[C@@H]1CC(CNC(F)F)CN1C
InChIInChI=1S/C10H18F2N2/c1-7(2)9-4-8(6-14(9)3)5-13-10(11)12/h8-10,13H,1,4-6H2,2-3H3/t8?,9-/m0/s1
InChIKeyGTFWIEBJUQZPLC-GKAPJAKFSA-N
XLogP1.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.70
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,4S)-4-fluoro-2-(3-methylbut-1-en-2-yl)pyrrolidine
CID 89494790
4-Fluoro-4-methyl-2-(3-methylbut-1-en-2-yl)pyrrolidine
CID 91554489
4-(Difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
CID 126653747
(2Z)-5-fluoro-2-(1-fluoroethylidene)-N-methyl-1-(1-methylpyrrolidin-3-yl)hex-5-en-1-amine
CID 131969264
3,3-Difluoro-2-methyl-2-prop-1-en-2-ylpyrrolidine
CID 147394218
(E)-N-methyl-N-[2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethyl]pent-3-en-1-amine
CID 172335441
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]hex-5-en-2-amine
CID 113429290
1-[(2-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 114490159
3,3,3-trifluoro-N-methyl-N-[2-(4-methylidenepyrrolidin-2-yl)ethyl]propan-1-amine
CID 168883648
(2S)-4-methylidene-2-propan-2-ylpyrrolidine
CID 90326237
3-Methylidene-2-propan-2-ylpyrrolidine
CID 90974149
5-methyl-4-methylidene-3-N-propan-2-ylhexane-1,3-diamine
CID 138547022

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine?
The IUPAC name of 1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine (CID 147703077) is 1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine.
What is the SMILES notation for 1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine?
The canonical SMILES for 1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine is C=C(C)[C@@H]1CC(CNC(F)F)CN1C.
What is the InChIKey of 1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine?
The InChIKey is GTFWIEBJUQZPLC-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-7(2)9-4-8(6-14(9)3)5-13-10(11)12/h8-10,13H,1,4-6H2,2-3H3/t8?,9-/m0/s1.
What are the key properties of 1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine?
1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine has a molecular weight of 204.26 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[[(5S)-1-methyl-5-prop-1-en-2-ylpyrrolidin-3-yl]methyl]methanamine is sourced from PubChem (CID 147703077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).