3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol

C8H17F2NO — CID 134429369

IUPAC3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol
SMILESCN(CC(O)C(F)F)C(C)(C)C
InChIInChI=1S/C8H17F2NO/c1-8(2,3)11(4)5-6(12)7(9)10/h6-7,12H,5H2,1-4H3
InChIKeyOOPAECLDANLAJM-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.34
Rot. Bonds3

About 3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol

3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol (PubChem CID 134429369) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol
PubChem CID134429369
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol
SMILESCN(CC(O)C(F)F)C(C)(C)C
InChIInChI=1S/C8H17F2NO/c1-8(2,3)11(4)5-6(12)7(9)10/h6-7,12H,5H2,1-4H3
InChIKeyOOPAECLDANLAJM-UHFFFAOYSA-N
XLogP1.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol (CID 134429369) is 3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol is CN(CC(O)C(F)F)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is OOPAECLDANLAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-8(2,3)11(4)5-6(12)7(9)10/h6-7,12H,5H2,1-4H3.
What are the key properties of 3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol?
3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 181.23 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(methyl)amino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 134429369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).