3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol

C10H20F3NO2 — CID 114358325

IUPAC3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
SMILESCC(C)CC(N)C(CO)OC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-6(2)4-8(14)9(5-15)16-7(3)10(11,12)13/h6-9,15H,4-5,14H2,1-3H3
InChIKeyYLEQZGWIWMZVNG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.69
Rot. Bonds6

About 3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol

3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol (PubChem CID 114358325) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol.

Molecular Properties

Compound Name3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
PubChem CID114358325
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
SMILESCC(C)CC(N)C(CO)OC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-6(2)4-8(14)9(5-15)16-7(3)10(11,12)13/h6-9,15H,4-5,14H2,1-3H3
InChIKeyYLEQZGWIWMZVNG-UHFFFAOYSA-N
XLogP1.69
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The IUPAC name of 3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol (CID 114358325) is 3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol.
What is the SMILES notation for 3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The canonical SMILES for 3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol is CC(C)CC(N)C(CO)OC(C)C(F)(F)F.
What is the InChIKey of 3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
The InChIKey is YLEQZGWIWMZVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-6(2)4-8(14)9(5-15)16-7(3)10(11,12)13/h6-9,15H,4-5,14H2,1-3H3.
What are the key properties of 3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol?
3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol has a molecular weight of 243.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-2-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol is sourced from PubChem (CID 114358325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).