2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine

C11H23F2NO — CID 162608167

IUPAC2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(F)(F)COC(C)C(C)C
InChIInChI=1S/C11H23F2NO/c1-8(2)10(5)15-7-11(12,13)6-14-9(3)4/h8-10,14H,6-7H2,1-5H3
InChIKeyKWIQZLYNPHGYEO-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.68
Rot. Bonds7

About 2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine

2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine (PubChem CID 162608167) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine
PubChem CID162608167
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(F)(F)COC(C)C(C)C
InChIInChI=1S/C11H23F2NO/c1-8(2)10(5)15-7-11(12,13)6-14-9(3)4/h8-10,14H,6-7H2,1-5H3
InChIKeyKWIQZLYNPHGYEO-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoroethyl)-2,2-dimethyl-3-propan-2-yloxypropan-1-amine
CID 58303694
2,2-dimethyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 58303698
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
CID 89110455
3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129140799
3-(3-methylpentan-3-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 129140803
[2,2-Difluoro-3-(propan-2-yloxy)propyl](ethyl)amine
CID 134579334
[3-(Tert-butoxy)-2,2-difluoropropyl](ethyl)amine
CID 134579816
2-fluoro-2-methyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 134581779
[3-(Tert-butoxy)-2,2-difluoropropyl](propan-2-yl)amine
CID 135173990
N-ethyl-2-fluoro-2-methyl-3-propan-2-yloxypropan-1-amine
CID 135175069

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine (CID 162608167) is 2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine is CC(C)NCC(F)(F)COC(C)C(C)C.
What is the InChIKey of 2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine?
The InChIKey is KWIQZLYNPHGYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-8(2)10(5)15-7-11(12,13)6-14-9(3)4/h8-10,14H,6-7H2,1-5H3.
What are the key properties of 2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine?
2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine has a molecular weight of 223.31 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(3-methylbutan-2-yloxy)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 162608167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).