5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol

C9H19F2NO — CID 155943803

IUPAC5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol
SMILESCC(C)(C)C(O)C(F)(F)C(C)(C)N
InChIInChI=1S/C9H19F2NO/c1-7(2,3)6(13)9(10,11)8(4,5)12/h6,13H,12H2,1-5H3
InChIKeyCAGQBTKNIXKEHW-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.77
Rot. Bonds2

About 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol

5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol (PubChem CID 155943803) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol.

Molecular Properties

Compound Name5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol
PubChem CID155943803
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol
SMILESCC(C)(C)C(O)C(F)(F)C(C)(C)N
InChIInChI=1S/C9H19F2NO/c1-7(2,3)6(13)9(10,11)8(4,5)12/h6,13H,12H2,1-5H3
InChIKeyCAGQBTKNIXKEHW-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol?
The IUPAC name of 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol (CID 155943803) is 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol.
What is the SMILES notation for 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol?
The canonical SMILES for 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol is CC(C)(C)C(O)C(F)(F)C(C)(C)N.
What is the InChIKey of 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol?
The InChIKey is CAGQBTKNIXKEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-7(2,3)6(13)9(10,11)8(4,5)12/h6,13H,12H2,1-5H3.
What are the key properties of 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol?
5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol has a molecular weight of 195.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,4-difluoro-2,2,5-trimethylhexan-3-ol is sourced from PubChem (CID 155943803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).