3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol

C8H17F2NO — CID 80605073

IUPAC3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol
SMILESCC(C)(C)NCC(C)(O)C(F)F
InChIInChI=1S/C8H17F2NO/c1-7(2,3)11-5-8(4,12)6(9)10/h6,11-12H,5H2,1-4H3
InChIKeyLOTXLDULJMGOAV-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds3

About 3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol

3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol (PubChem CID 80605073) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol
PubChem CID80605073
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol
SMILESCC(C)(C)NCC(C)(O)C(F)F
InChIInChI=1S/C8H17F2NO/c1-7(2,3)11-5-8(4,12)6(9)10/h6,11-12H,5H2,1-4H3
InChIKeyLOTXLDULJMGOAV-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol (CID 80605073) is 3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol is CC(C)(C)NCC(C)(O)C(F)F.
What is the InChIKey of 3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol?
The InChIKey is LOTXLDULJMGOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-7(2,3)11-5-8(4,12)6(9)10/h6,11-12H,5H2,1-4H3.
What are the key properties of 3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol?
3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol has a molecular weight of 181.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol is sourced from PubChem (CID 80605073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).