1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol

C14H26F3NO3 — CID 60729532

IUPAC1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
SMILESCC1CCCC(OCC(O)CNCCOCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO3/c1-11-3-2-4-13(7-11)21-9-12(19)8-18-5-6-20-10-14(15,16)17/h11-13,18-19H,2-10H2,1H3
InChIKeyMAYMZJJPZHSUON-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.11
Rot. Bonds9

About 1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol

1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol (PubChem CID 60729532) has the molecular formula C14H26F3NO3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
PubChem CID60729532
Molecular FormulaC14H26F3NO3
Molecular Weight313.36 g/mol
Exact Mass313.19
IUPAC Name1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
SMILESCC1CCCC(OCC(O)CNCCOCC(F)(F)F)C1
InChIInChI=1S/C14H26F3NO3/c1-11-3-2-4-13(7-11)21-9-12(19)8-18-5-6-20-10-14(15,16)17/h11-13,18-19H,2-10H2,1H3
InChIKeyMAYMZJJPZHSUON-UHFFFAOYSA-N
XLogP2.11
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol (CID 60729532) is 1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol is CC1CCCC(OCC(O)CNCCOCC(F)(F)F)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
The InChIKey is MAYMZJJPZHSUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO3/c1-11-3-2-4-13(7-11)21-9-12(19)8-18-5-6-20-10-14(15,16)17/h11-13,18-19H,2-10H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol has a molecular weight of 313.36 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 60729532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).