2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane

C11H22F2N2 — CID 166162381

IUPAC2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane
SMILESC=C(CN)N1CC(F)(F)CC1C.CCC
InChIInChI=1S/C8H14F2N2.C3H8/c1-6-3-8(9,10)5-12(6)7(2)4-11;1-3-2/h6H,2-5,11H2,1H3;3H2,1-2H3
InChIKeyURUSNQOPEGEJDT-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.60
Rot. Bonds2

About 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane

2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane (PubChem CID 166162381) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane.

Molecular Properties

Compound Name2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane
PubChem CID166162381
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane
SMILESC=C(CN)N1CC(F)(F)CC1C.CCC
InChIInChI=1S/C8H14F2N2.C3H8/c1-6-3-8(9,10)5-12(6)7(2)4-11;1-3-2/h6H,2-5,11H2,1H3;3H2,1-2H3
InChIKeyURUSNQOPEGEJDT-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane?
The IUPAC name of 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane (CID 166162381) is 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane.
What is the SMILES notation for 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane?
The canonical SMILES for 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane is C=C(CN)N1CC(F)(F)CC1C.CCC.
What is the InChIKey of 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane?
The InChIKey is URUSNQOPEGEJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2.C3H8/c1-6-3-8(9,10)5-12(6)7(2)4-11;1-3-2/h6H,2-5,11H2,1H3;3H2,1-2H3.
What are the key properties of 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane?
2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane has a molecular weight of 220.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-2-methylpyrrolidin-1-yl)prop-2-en-1-amine;propane is sourced from PubChem (CID 166162381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).