4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol

C12H22F3NO2 — CID 65118774

IUPAC4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCC(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-2-9-3-5-11(18,6-4-9)8-16-7-10(17)12(13,14)15/h9-10,16-18H,2-8H2,1H3
InChIKeyQTCLKODSBQDNGG-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.83
Rot. Bonds5

About 4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65118774) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
PubChem CID65118774
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCC(O)C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO2/c1-2-9-3-5-11(18,6-4-9)8-16-7-10(17)12(13,14)15/h9-10,16-18H,2-8H2,1H3
InChIKeyQTCLKODSBQDNGG-UHFFFAOYSA-N
XLogP1.83
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (CID 65118774) is 4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNCC(O)C(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QTCLKODSBQDNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-2-9-3-5-11(18,6-4-9)8-16-7-10(17)12(13,14)15/h9-10,16-18H,2-8H2,1H3.
What are the key properties of 4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 269.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).