5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol

C8H16F3NO — CID 45358257

IUPAC5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
SMILESCC(C)(C)C(O)CC(N)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)6(13)4-5(12)8(9,10)11/h5-6,13H,4,12H2,1-3H3
InChIKeyMQEBHOWPDVXEIV-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.67
Rot. Bonds2

About 5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol

5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol (PubChem CID 45358257) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol.

Molecular Properties

Compound Name5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
PubChem CID45358257
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol
SMILESCC(C)(C)C(O)CC(N)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,3)6(13)4-5(12)8(9,10)11/h5-6,13H,4,12H2,1-3H3
InChIKeyMQEBHOWPDVXEIV-UHFFFAOYSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol?
The IUPAC name of 5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol (CID 45358257) is 5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol.
What is the SMILES notation for 5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol?
The canonical SMILES for 5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol is CC(C)(C)C(O)CC(N)C(F)(F)F.
What is the InChIKey of 5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol?
The InChIKey is MQEBHOWPDVXEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,3)6(13)4-5(12)8(9,10)11/h5-6,13H,4,12H2,1-3H3.
What are the key properties of 5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol?
5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol has a molecular weight of 199.22 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6,6,6-trifluoro-2,2-dimethylhexan-3-ol is sourced from PubChem (CID 45358257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).