N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine

C10H21F2NO2 — CID 103228954

IUPACN-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)OCC(F)F
InChIInChI=1S/C10H21F2NO2/c1-8(2)4-13-5-9(6-14-3)15-7-10(11)12/h8-10,13H,4-7H2,1-3H3
InChIKeyNUJMNXCSBRGOSO-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.53
Rot. Bonds9

About N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine

N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine (PubChem CID 103228954) has the molecular formula C10H21F2NO2 and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine
PubChem CID103228954
Molecular FormulaC10H21F2NO2
Molecular Weight225.28 g/mol
Exact Mass225.15
IUPAC NameN-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)OCC(F)F
InChIInChI=1S/C10H21F2NO2/c1-8(2)4-13-5-9(6-14-3)15-7-10(11)12/h8-10,13H,4-7H2,1-3H3
InChIKeyNUJMNXCSBRGOSO-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine (CID 103228954) is N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine is COCC(CNCC(C)C)OCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The InChIKey is NUJMNXCSBRGOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO2/c1-8(2)4-13-5-9(6-14-3)15-7-10(11)12/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine?
N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 1.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)-3-methoxypropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103228954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).