3-amino-7,7,7-trifluoro-2-methylheptan-2-ol

C8H16F3NO — CID 86718189

IUPAC3-amino-7,7,7-trifluoro-2-methylheptan-2-ol
SMILESCC(C)(O)C(N)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,13)6(12)4-3-5-8(9,10)11/h6,13H,3-5,12H2,1-2H3
InChIKeyZLCLQXAFOVQSHC-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol

3-amino-7,7,7-trifluoro-2-methylheptan-2-ol (PubChem CID 86718189) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol.

Molecular Properties

Compound Name3-amino-7,7,7-trifluoro-2-methylheptan-2-ol
PubChem CID86718189
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3-amino-7,7,7-trifluoro-2-methylheptan-2-ol
SMILESCC(C)(O)C(N)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,13)6(12)4-3-5-8(9,10)11/h6,13H,3-5,12H2,1-2H3
InChIKeyZLCLQXAFOVQSHC-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol?
The IUPAC name of 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol (CID 86718189) is 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol.
What is the SMILES notation for 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol?
The canonical SMILES for 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol is CC(C)(O)C(N)CCCC(F)(F)F.
What is the InChIKey of 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol?
The InChIKey is ZLCLQXAFOVQSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,13)6(12)4-3-5-8(9,10)11/h6,13H,3-5,12H2,1-2H3.
What are the key properties of 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol?
3-amino-7,7,7-trifluoro-2-methylheptan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7,7,7-trifluoro-2-methylheptan-2-ol is sourced from PubChem (CID 86718189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).