N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine

C9H19F2NO — CID 102870166

IUPACN-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNC(C)C(F)F
InChIInChI=1S/C9H19F2NO/c1-5-13-9(3,4)6-12-7(2)8(10)11/h7-8,12H,5-6H2,1-4H3
InChIKeyZPGGDHOWHJFRFW-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.04
Rot. Bonds6

About N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine

N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine (PubChem CID 102870166) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine
PubChem CID102870166
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNC(C)C(F)F
InChIInChI=1S/C9H19F2NO/c1-5-13-9(3,4)6-12-7(2)8(10)11/h7-8,12H,5-6H2,1-4H3
InChIKeyZPGGDHOWHJFRFW-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine (CID 102870166) is N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)CNC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is ZPGGDHOWHJFRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-5-13-9(3,4)6-12-7(2)8(10)11/h7-8,12H,5-6H2,1-4H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine?
N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 102870166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).