2-(difluoromethoxy)-2-ethylbutan-1-amine

C7H15F2NO — CID 65050968

IUPAC2-(difluoromethoxy)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OC(F)F
InChIInChI=1S/C7H15F2NO/c1-3-7(4-2,5-10)11-6(8)9/h6H,3-5,10H2,1-2H3
InChIKeySQDGPIWTYTWTRO-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.74
Rot. Bonds5

About 2-(difluoromethoxy)-2-ethylbutan-1-amine

2-(difluoromethoxy)-2-ethylbutan-1-amine (PubChem CID 65050968) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-(difluoromethoxy)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(difluoromethoxy)-2-ethylbutan-1-amine
PubChem CID65050968
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2-(difluoromethoxy)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)OC(F)F
InChIInChI=1S/C7H15F2NO/c1-3-7(4-2,5-10)11-6(8)9/h6H,3-5,10H2,1-2H3
InChIKeySQDGPIWTYTWTRO-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-2-ethylbutan-1-amine?
The IUPAC name of 2-(difluoromethoxy)-2-ethylbutan-1-amine (CID 65050968) is 2-(difluoromethoxy)-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(difluoromethoxy)-2-ethylbutan-1-amine?
The canonical SMILES for 2-(difluoromethoxy)-2-ethylbutan-1-amine is CCC(CC)(CN)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-2-ethylbutan-1-amine?
The InChIKey is SQDGPIWTYTWTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-3-7(4-2,5-10)11-6(8)9/h6H,3-5,10H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-2-ethylbutan-1-amine?
2-(difluoromethoxy)-2-ethylbutan-1-amine has a molecular weight of 167.20 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-2-ethylbutan-1-amine is sourced from PubChem (CID 65050968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).