2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol

C7H15F2NO — CID 64548932

IUPAC2-(2,2-difluoroethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC(F)F
InChIInChI=1S/C7H15F2NO/c1-3-7(2,5-11)10-4-6(8)9/h6,10-11H,3-5H2,1-2H3
InChIKeyVYIXPVLTVOAQIS-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.10
Rot. Bonds5

About 2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol

2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol (PubChem CID 64548932) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol
PubChem CID64548932
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2-(2,2-difluoroethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC(F)F
InChIInChI=1S/C7H15F2NO/c1-3-7(2,5-11)10-4-6(8)9/h6,10-11H,3-5H2,1-2H3
InChIKeyVYIXPVLTVOAQIS-UHFFFAOYSA-N
XLogP1.10
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity111

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol?
The IUPAC name of 2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol (CID 64548932) is 2-(2,2-difluoroethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol is CCC(C)(CO)NCC(F)F.
What is the InChIKey of 2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol?
The InChIKey is VYIXPVLTVOAQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-3-7(2,5-11)10-4-6(8)9/h6,10-11H,3-5H2,1-2H3.
What are the key properties of 2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol?
2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol has a molecular weight of 167.20 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-Difluoroethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 64548932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).