N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine

C12H24F2N2O — CID 107494394

IUPACN'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1(C)CC(N(CCN)CC(F)F)C(C)(C)O1
InChIInChI=1S/C12H24F2N2O/c1-11(2)7-9(12(3,4)17-11)16(6-5-15)8-10(13)14/h9-10H,5-8,15H2,1-4H3
InChIKeyDUHASEJXNYAIHS-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.86
Rot. Bonds5

About N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine (PubChem CID 107494394) has the molecular formula C12H24F2N2O and a molecular weight of 250.33 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine
PubChem CID107494394
Molecular FormulaC12H24F2N2O
Molecular Weight250.33 g/mol
Exact Mass250.19
IUPAC NameN'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine
SMILESCC1(C)CC(N(CCN)CC(F)F)C(C)(C)O1
InChIInChI=1S/C12H24F2N2O/c1-11(2)7-9(12(3,4)17-11)16(6-5-15)8-10(13)14/h9-10H,5-8,15H2,1-4H3
InChIKeyDUHASEJXNYAIHS-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine (CID 107494394) is N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine is CC1(C)CC(N(CCN)CC(F)F)C(C)(C)O1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine?
The InChIKey is DUHASEJXNYAIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O/c1-11(2)7-9(12(3,4)17-11)16(6-5-15)8-10(13)14/h9-10H,5-8,15H2,1-4H3.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine has a molecular weight of 250.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-(2,2,5,5-tetramethyloxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107494394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).