3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol

C9H15F6NO2 — CID 102721949

IUPAC3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6NO2/c1-4(2)6(16)5(3-17)18-7(8(10,11)12)9(13,14)15/h4-7,17H,3,16H2,1-2H3
InChIKeyMTKOAARFTQSHFQ-UHFFFAOYSA-N
MW283.21 g/mol
LogP1.84
Rot. Bonds5

About 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol

3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol (PubChem CID 102721949) has the molecular formula C9H15F6NO2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol
PubChem CID102721949
Molecular FormulaC9H15F6NO2
Molecular Weight283.21 g/mol
Exact Mass283.10
IUPAC Name3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6NO2/c1-4(2)6(16)5(3-17)18-7(8(10,11)12)9(13,14)15/h4-7,17H,3,16H2,1-2H3
InChIKeyMTKOAARFTQSHFQ-UHFFFAOYSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol (CID 102721949) is 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol is CC(C)C(N)C(CO)OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol?
The InChIKey is MTKOAARFTQSHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6NO2/c1-4(2)6(16)5(3-17)18-7(8(10,11)12)9(13,14)15/h4-7,17H,3,16H2,1-2H3.
What are the key properties of 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol?
3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol has a molecular weight of 283.21 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-methylpentan-1-ol is sourced from PubChem (CID 102721949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).