1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol

C14H26F3NO2 — CID 63226622

IUPAC1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCCC(F)(F)F
InChIInChI=1S/C14H26F3NO2/c1-2-11-5-3-4-6-13(11)20-10-12(19)9-18-8-7-14(15,16)17/h11-13,18-19H,2-10H2,1H3
InChIKeyXBMZDXIVLZCHQM-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.87
Rot. Bonds8

About 1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol (PubChem CID 63226622) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
PubChem CID63226622
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCCC(F)(F)F
InChIInChI=1S/C14H26F3NO2/c1-2-11-5-3-4-6-13(11)20-10-12(19)9-18-8-7-14(15,16)17/h11-13,18-19H,2-10H2,1H3
InChIKeyXBMZDXIVLZCHQM-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.87
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-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol (CID 63226622) is 1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol is CCC1CCCCC1OCC(O)CNCCC(F)(F)F.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol?
The InChIKey is XBMZDXIVLZCHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-2-11-5-3-4-6-13(11)20-10-12(19)9-18-8-7-14(15,16)17/h11-13,18-19H,2-10H2,1H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol has a molecular weight of 297.36 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol is sourced from PubChem (CID 63226622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).