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

C10H17F6NO2 — CID 102721906

IUPAC3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO2/c1-8(2,3)6(17)5(4-18)19-7(9(11,12)13)10(14,15)16/h5-7,18H,4,17H2,1-3H3
InChIKeyMSAKWFVCYXFYCH-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.23
Rot. Bonds4

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

3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol (PubChem CID 102721906) has the molecular formula C10H17F6NO2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol
PubChem CID102721906
Molecular FormulaC10H17F6NO2
Molecular Weight297.24 g/mol
Exact Mass297.12
IUPAC Name3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(N)C(CO)OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO2/c1-8(2,3)6(17)5(4-18)19-7(9(11,12)13)10(14,15)16/h5-7,18H,4,17H2,1-3H3
InChIKeyMSAKWFVCYXFYCH-UHFFFAOYSA-N
XLogP2.23
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.23
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)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol (CID 102721906) is 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol is CC(C)(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)-4,4-dimethylpentan-1-ol?
The InChIKey is MSAKWFVCYXFYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6NO2/c1-8(2,3)6(17)5(4-18)19-7(9(11,12)13)10(14,15)16/h5-7,18H,4,17H2,1-3H3.
What are the key properties of 3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol?
3-amino-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4,4-dimethylpentan-1-ol has a molecular weight of 297.24 g/mol, XLogP of 2.23, 4 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)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 102721906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).