N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine

C8H19FN2O — CID 170104491

IUPACN'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine
SMILESCC(F)OCC(C)(C)NCCN
InChIInChI=1S/C8H19FN2O/c1-7(9)12-6-8(2,3)11-5-4-10/h7,11H,4-6,10H2,1-3H3
InChIKeyWTJNWNBUPCWULB-UHFFFAOYSA-N
MW178.25 g/mol
LogP0.65
Rot. Bonds6

About N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine

N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine (PubChem CID 170104491) has the molecular formula C8H19FN2O and a molecular weight of 178.25 g/mol. Its IUPAC name is N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine
PubChem CID170104491
Molecular FormulaC8H19FN2O
Molecular Weight178.25 g/mol
Exact Mass178.15
IUPAC NameN'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine
SMILESCC(F)OCC(C)(C)NCCN
InChIInChI=1S/C8H19FN2O/c1-7(9)12-6-8(2,3)11-5-4-10/h7,11H,4-6,10H2,1-3H3
InChIKeyWTJNWNBUPCWULB-UHFFFAOYSA-N
XLogP0.65
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine (CID 170104491) is N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine is CC(F)OCC(C)(C)NCCN.
What is the InChIKey of N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine?
The InChIKey is WTJNWNBUPCWULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2O/c1-7(9)12-6-8(2,3)11-5-4-10/h7,11H,4-6,10H2,1-3H3.
What are the key properties of N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine?
N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine has a molecular weight of 178.25 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-fluoroethoxy)-2-methylpropan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 170104491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).