4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol

C9H19F2NO — CID 80604836

IUPAC4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol
SMILESCC(C)(C)NCCC(C)(O)C(F)F
InChIInChI=1S/C9H19F2NO/c1-8(2,3)12-6-5-9(4,13)7(10)11/h7,12-13H,5-6H2,1-4H3
InChIKeyCSRSPNVZKZUOBB-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.78
Rot. Bonds4

About 4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol

4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol (PubChem CID 80604836) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol
PubChem CID80604836
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol
SMILESCC(C)(C)NCCC(C)(O)C(F)F
InChIInChI=1S/C9H19F2NO/c1-8(2,3)12-6-5-9(4,13)7(10)11/h7,12-13H,5-6H2,1-4H3
InChIKeyCSRSPNVZKZUOBB-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol?
The IUPAC name of 4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol (CID 80604836) is 4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol is CC(C)(C)NCCC(C)(O)C(F)F.
What is the InChIKey of 4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol?
The InChIKey is CSRSPNVZKZUOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-8(2,3)12-6-5-9(4,13)7(10)11/h7,12-13H,5-6H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol?
4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol has a molecular weight of 195.25 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-1,1-difluoro-2-methylbutan-2-ol is sourced from PubChem (CID 80604836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).