1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol

C10H20F3NO2 — CID 63901692

IUPAC1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol
SMILESCC(C)CCOCCNCC(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(2)3-5-16-6-4-14-7-9(15)10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyHVWHXOMTCRBCJZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.56
Rot. Bonds8

About 1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol

1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol (PubChem CID 63901692) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol
PubChem CID63901692
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol
SMILESCC(C)CCOCCNCC(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(2)3-5-16-6-4-14-7-9(15)10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyHVWHXOMTCRBCJZ-UHFFFAOYSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol (CID 63901692) is 1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol is CC(C)CCOCCNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol?
The InChIKey is HVWHXOMTCRBCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-8(2)3-5-16-6-4-14-7-9(15)10(11,12)13/h8-9,14-15H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol?
1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol has a molecular weight of 243.27 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-(3-methylbutoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 63901692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).