3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine

C8H14F2N2 — CID 156826826

IUPAC3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine
SMILESC=C(C(C)N)N1CCC(F)(F)C1
InChIInChI=1S/C8H14F2N2/c1-6(11)7(2)12-4-3-8(9,10)5-12/h6H,2-5,11H2,1H3
InChIKeyUBEIAUAVSRROEX-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.19
Rot. Bonds2

About 3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine

3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine (PubChem CID 156826826) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine
PubChem CID156826826
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine
SMILESC=C(C(C)N)N1CCC(F)(F)C1
InChIInChI=1S/C8H14F2N2/c1-6(11)7(2)12-4-3-8(9,10)5-12/h6H,2-5,11H2,1H3
InChIKeyUBEIAUAVSRROEX-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-2-N,2-N-dimethylbut-1-ene-2,3-diamine
CID 123956568
2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
CID 130290951
(3R)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
CID 130290995
(3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
CID 130291029
2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
CID 130291030
2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine
CID 130291047
(3R)-2-N-(2,2,2-trifluoroethyl)pent-1-ene-2,3-diamine
CID 130291194
(3R)-2-N-ethyl-2-N-(2,2,2-trifluoroethyl)but-1-ene-2,3-diamine
CID 130291195
1-(3-Aminopent-1-en-2-yl)-4,4-difluoropyrrolidine-2-carbonitrile
CID 138720105
1-propyl-N-(3,3,3-trifluoroprop-1-en-2-yl)pyrrolidin-3-amine
CID 142079069
1-(4,4-Difluoro-1-methylpyrrolidin-2-yl)ethenamine;ethane
CID 156824972
2-(4,4-Difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane
CID 166162381

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine?
The IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine (CID 156826826) is 3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine.
What is the SMILES notation for 3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine?
The canonical SMILES for 3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine is C=C(C(C)N)N1CCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine?
The InChIKey is UBEIAUAVSRROEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-6(11)7(2)12-4-3-8(9,10)5-12/h6H,2-5,11H2,1H3.
What are the key properties of 3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine?
3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine has a molecular weight of 176.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropyrrolidin-1-yl)but-3-en-2-amine is sourced from PubChem (CID 156826826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).