4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol

C14H26F3NO2 — CID 65120803

IUPAC4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO2/c1-12(2)4-6-13(19,7-5-12)10-18-8-3-9-20-11-14(15,16)17/h18-19H,3-11H2,1-2H3
InChIKeyKFILEQWCXSFEPQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.88
Rot. Bonds7

About 4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol

4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol (PubChem CID 65120803) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
PubChem CID65120803
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol
SMILESCC1(C)CCC(O)(CNCCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO2/c1-12(2)4-6-13(19,7-5-12)10-18-8-3-9-20-11-14(15,16)17/h18-19H,3-11H2,1-2H3
InChIKeyKFILEQWCXSFEPQ-UHFFFAOYSA-N
XLogP2.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.88
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 4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol (CID 65120803) is 4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol is CC1(C)CCC(O)(CNCCCOCC(F)(F)F)CC1.
What is the InChIKey of 4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
The InChIKey is KFILEQWCXSFEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-12(2)4-6-13(19,7-5-12)10-18-8-3-9-20-11-14(15,16)17/h18-19H,3-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol?
4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol has a molecular weight of 297.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65120803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).