5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol

C14H26F3NO2 — CID 70049639

IUPAC5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol
SMILESCN(CC(O)C(O)CCC1CCCCC1)C(F)(F)CF
InChIInChI=1S/C14H26F3NO2/c1-18(14(16,17)10-15)9-13(20)12(19)8-7-11-5-3-2-4-6-11/h11-13,19-20H,2-10H2,1H3
InChIKeyBAQVYEVQAUUHQN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds8

About 5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol

5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol (PubChem CID 70049639) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol.

Molecular Properties

Compound Name5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol
PubChem CID70049639
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol
SMILESCN(CC(O)C(O)CCC1CCCCC1)C(F)(F)CF
InChIInChI=1S/C14H26F3NO2/c1-18(14(16,17)10-15)9-13(20)12(19)8-7-11-5-3-2-4-6-11/h11-13,19-20H,2-10H2,1H3
InChIKeyBAQVYEVQAUUHQN-UHFFFAOYSA-N
XLogP2.56
TPSA43.70 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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol?
The IUPAC name of 5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol (CID 70049639) is 5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol.
What is the SMILES notation for 5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol?
The canonical SMILES for 5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol is CN(CC(O)C(O)CCC1CCCCC1)C(F)(F)CF.
What is the InChIKey of 5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol?
The InChIKey is BAQVYEVQAUUHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-18(14(16,17)10-15)9-13(20)12(19)8-7-11-5-3-2-4-6-11/h11-13,19-20H,2-10H2,1H3.
What are the key properties of 5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol?
5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol has a molecular weight of 297.36 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-[methyl(1,1,2-trifluoroethyl)amino]pentane-2,3-diol is sourced from PubChem (CID 70049639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).