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

C14H26F3NO3 — CID 60729530

IUPAC1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCCOCC(F)(F)F
InChIInChI=1S/C14H26F3NO3/c1-11-4-2-3-5-13(11)21-9-12(19)8-18-6-7-20-10-14(15,16)17/h11-13,18-19H,2-10H2,1H3
InChIKeyFVXMDQVHDNLWRA-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.11
Rot. Bonds9

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

1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol (PubChem CID 60729530) has the molecular formula C14H26F3NO3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
PubChem CID60729530
Molecular FormulaC14H26F3NO3
Molecular Weight313.36 g/mol
Exact Mass313.19
IUPAC Name1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
SMILESCC1CCCCC1OCC(O)CNCCOCC(F)(F)F
InChIInChI=1S/C14H26F3NO3/c1-11-4-2-3-5-13(11)21-9-12(19)8-18-6-7-20-10-14(15,16)17/h11-13,18-19H,2-10H2,1H3
InChIKeyFVXMDQVHDNLWRA-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'}

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

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Related Compounds

1-(2-Methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 55173979
1-(2-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632467
1-(4-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632509
1-(2-Ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632510
1-(3-Methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632593
1-(2-Ethylhexoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632637
1-(4-Methylpentoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632638
1-Cyclohexyloxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729374
1-(4-Methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729481
1-(3-Methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729532
1-(4-Methylpentoxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729581
1-(4-Methylpentan-2-yloxy)-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729629

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol (CID 60729530) is 1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol is CC1CCCCC1OCC(O)CNCCOCC(F)(F)F.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
The InChIKey is FVXMDQVHDNLWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO3/c1-11-4-2-3-5-13(11)21-9-12(19)8-18-6-7-20-10-14(15,16)17/h11-13,18-19H,2-10H2,1H3.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol?
1-(2-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-(2-methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 60729530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).