N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

C9H18F2N2O — CID 82837520

IUPACN-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)NCC(F)F)O1
InChIInChI=1S/C9H18F2N2O/c1-6-2-3-8(14-6)7(4-12)13-5-9(10)11/h6-9,13H,2-5,12H2,1H3
InChIKeyQDNBLDXTMKJTBO-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.74
Rot. Bonds5

About N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine

N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (PubChem CID 82837520) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
PubChem CID82837520
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC NameN-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
SMILESCC1CCC(C(CN)NCC(F)F)O1
InChIInChI=1S/C9H18F2N2O/c1-6-2-3-8(14-6)7(4-12)13-5-9(10)11/h6-9,13H,2-5,12H2,1H3
InChIKeyQDNBLDXTMKJTBO-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine (CID 82837520) is N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is CC1CCC(C(CN)NCC(F)F)O1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
The InChIKey is QDNBLDXTMKJTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-6-2-3-8(14-6)7(4-12)13-5-9(10)11/h6-9,13H,2-5,12H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine?
N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine has a molecular weight of 208.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 82837520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).