1-(2,2-difluoroethoxy)-3-methylpentan-2-amine

C8H17F2NO — CID 82004242

IUPAC1-(2,2-difluoroethoxy)-3-methylpentan-2-amine
SMILESCCC(C)C(N)COCC(F)F
InChIInChI=1S/C8H17F2NO/c1-3-6(2)7(11)4-12-5-8(9)10/h6-8H,3-5,11H2,1-2H3
InChIKeyMJFQKXOSELLUKW-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.64
Rot. Bonds6

About 1-(2,2-difluoroethoxy)-3-methylpentan-2-amine

1-(2,2-difluoroethoxy)-3-methylpentan-2-amine (PubChem CID 82004242) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-3-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-3-methylpentan-2-amine
PubChem CID82004242
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1-(2,2-difluoroethoxy)-3-methylpentan-2-amine
SMILESCCC(C)C(N)COCC(F)F
InChIInChI=1S/C8H17F2NO/c1-3-6(2)7(11)4-12-5-8(9)10/h6-8H,3-5,11H2,1-2H3
InChIKeyMJFQKXOSELLUKW-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-3-methylpentan-2-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-3-methylpentan-2-amine (CID 82004242) is 1-(2,2-difluoroethoxy)-3-methylpentan-2-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-3-methylpentan-2-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-3-methylpentan-2-amine is CCC(C)C(N)COCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-3-methylpentan-2-amine?
The InChIKey is MJFQKXOSELLUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-3-6(2)7(11)4-12-5-8(9)10/h6-8H,3-5,11H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-3-methylpentan-2-amine?
1-(2,2-difluoroethoxy)-3-methylpentan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-3-methylpentan-2-amine is sourced from PubChem (CID 82004242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).