1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane

C12H23F2N — CID 177054045

IUPAC1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane
SMILESC=C(N1CCC(C)C1C)C(C)(F)F.CC
InChIInChI=1S/C10H17F2N.C2H6/c1-7-5-6-13(8(7)2)9(3)10(4,11)12;1-2/h7-8H,3,5-6H2,1-2,4H3;1-2H3
InChIKeySVILFZIAJJHUGQ-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.91
Rot. Bonds2

About 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane

1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane (PubChem CID 177054045) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane.

Molecular Properties

Compound Name1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane
PubChem CID177054045
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane
SMILESC=C(N1CCC(C)C1C)C(C)(F)F.CC
InChIInChI=1S/C10H17F2N.C2H6/c1-7-5-6-13(8(7)2)9(3)10(4,11)12;1-2/h7-8H,3,5-6H2,1-2,4H3;1-2H3
InChIKeySVILFZIAJJHUGQ-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4,4-difluoro-2-methyl-1-[(E,3S)-3-methylpent-1-enyl]pyrrolidine
CID 162404797
3-Tert-butyl-1-(3,3-dimethylbut-1-en-2-yl)-4-(fluoromethyl)pyrrolidine
CID 117878250
1-(3,3-Difluoroprop-1-en-2-yl)-3-ethyl-4-propan-2-ylpyrrolidine
CID 117878252
4,4-Difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine
CID 142433939
4-Ethyl-3,3-difluoro-1-prop-1-en-2-ylpyrrolidine
CID 156329290
methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
CID 169130853
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,3-dimethylbutan-1-amine
CID 169914402
N-[[(2S)-4,4-difluoro-1-methyl-5-methylidenepyrrolidin-2-yl]methyl]-N,3-dimethylbutan-1-amine
CID 169914403
N-[[(2R)-4,4-difluoro-1-methyl-5-methylidenepyrrolidin-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 169914941
3-Propan-2-yl-1-prop-1-en-2-yl-4-(trifluoromethyl)pyrrolidine
CID 169975914
1-(4,4-Dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
CID 170016412

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane?
The IUPAC name of 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane (CID 177054045) is 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane.
What is the SMILES notation for 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane?
The canonical SMILES for 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane is C=C(N1CCC(C)C1C)C(C)(F)F.CC.
What is the InChIKey of 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane?
The InChIKey is SVILFZIAJJHUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N.C2H6/c1-7-5-6-13(8(7)2)9(3)10(4,11)12;1-2/h7-8H,3,5-6H2,1-2,4H3;1-2H3.
What are the key properties of 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane?
1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane has a molecular weight of 219.32 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane is sourced from PubChem (CID 177054045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).