N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine

C14H26F2N2O — CID 107494520

IUPACN'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H26F2N2O/c15-13(16)11-18(9-8-17)10-12-4-7-14(19-12)5-2-1-3-6-14/h12-13H,1-11,17H2
InChIKeyWFAFWJBDMNNGAG-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.39
Rot. Bonds6

About N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 107494520) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
PubChem CID107494520
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC NameN'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(CC(F)F)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H26F2N2O/c15-13(16)11-18(9-8-17)10-12-4-7-14(19-12)5-2-1-3-6-14/h12-13H,1-11,17H2
InChIKeyWFAFWJBDMNNGAG-UHFFFAOYSA-N
XLogP2.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102896747
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897298
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897655
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102897658
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659
5,5,5-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102897660
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102897661
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 103524797

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine (CID 107494520) is N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine is NCCN(CC(F)F)CC1CCC2(CCCCC2)O1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is WFAFWJBDMNNGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O/c15-13(16)11-18(9-8-17)10-12-4-7-14(19-12)5-2-1-3-6-14/h12-13H,1-11,17H2.
What are the key properties of N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 276.37 g/mol, XLogP of 2.39, 6 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'-(1-oxaspiro[4.5]decan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).