1-(difluoromethoxy)-N,4-dimethylpentan-2-amine

C8H17F2NO — CID 84718527

IUPAC1-(difluoromethoxy)-N,4-dimethylpentan-2-amine
SMILESCNC(COC(F)F)CC(C)C
InChIInChI=1S/C8H17F2NO/c1-6(2)4-7(11-3)5-12-8(9)10/h6-8,11H,4-5H2,1-3H3
InChIKeyDWVNWMGEQVEUTN-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.86
Rot. Bonds6

About 1-(difluoromethoxy)-N,4-dimethylpentan-2-amine

1-(difluoromethoxy)-N,4-dimethylpentan-2-amine (PubChem CID 84718527) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(difluoromethoxy)-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-N,4-dimethylpentan-2-amine
PubChem CID84718527
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1-(difluoromethoxy)-N,4-dimethylpentan-2-amine
SMILESCNC(COC(F)F)CC(C)C
InChIInChI=1S/C8H17F2NO/c1-6(2)4-7(11-3)5-12-8(9)10/h6-8,11H,4-5H2,1-3H3
InChIKeyDWVNWMGEQVEUTN-UHFFFAOYSA-N
XLogP1.86
TPSA21.26 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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-N,4-dimethylpentan-2-amine?
The IUPAC name of 1-(difluoromethoxy)-N,4-dimethylpentan-2-amine (CID 84718527) is 1-(difluoromethoxy)-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(difluoromethoxy)-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(difluoromethoxy)-N,4-dimethylpentan-2-amine is CNC(COC(F)F)CC(C)C.
What is the InChIKey of 1-(difluoromethoxy)-N,4-dimethylpentan-2-amine?
The InChIKey is DWVNWMGEQVEUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(2)4-7(11-3)5-12-8(9)10/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 1-(difluoromethoxy)-N,4-dimethylpentan-2-amine?
1-(difluoromethoxy)-N,4-dimethylpentan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 84718527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).