1-(difluoromethoxy)-3,3-dimethylbutan-2-amine

C7H15F2NO — CID 84717210

IUPAC1-(difluoromethoxy)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)COC(F)F
InChIInChI=1S/C7H15F2NO/c1-7(2,3)5(10)4-11-6(8)9/h5-6H,4,10H2,1-3H3
InChIKeyGPGLEDXYDDJBTE-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.60
Rot. Bonds3

About 1-(difluoromethoxy)-3,3-dimethylbutan-2-amine

1-(difluoromethoxy)-3,3-dimethylbutan-2-amine (PubChem CID 84717210) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-3,3-dimethylbutan-2-amine
PubChem CID84717210
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name1-(difluoromethoxy)-3,3-dimethylbutan-2-amine
SMILESCC(C)(C)C(N)COC(F)F
InChIInChI=1S/C7H15F2NO/c1-7(2,3)5(10)4-11-6(8)9/h5-6H,4,10H2,1-3H3
InChIKeyGPGLEDXYDDJBTE-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3,3-dimethylbutan-2-amine?
The IUPAC name of 1-(difluoromethoxy)-3,3-dimethylbutan-2-amine (CID 84717210) is 1-(difluoromethoxy)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for 1-(difluoromethoxy)-3,3-dimethylbutan-2-amine?
The canonical SMILES for 1-(difluoromethoxy)-3,3-dimethylbutan-2-amine is CC(C)(C)C(N)COC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-3,3-dimethylbutan-2-amine?
The InChIKey is GPGLEDXYDDJBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-7(2,3)5(10)4-11-6(8)9/h5-6H,4,10H2,1-3H3.
What are the key properties of 1-(difluoromethoxy)-3,3-dimethylbutan-2-amine?
1-(difluoromethoxy)-3,3-dimethylbutan-2-amine has a molecular weight of 167.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 84717210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).