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

C11H20F3NO2 — CID 65116389

IUPAC4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-8-2-4-10(17,5-3-8)7-15-6-9(16)11(12,13)14/h8-9,15-17H,2-7H2,1H3
InChIKeyZPAOBQOYIGAAQZ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.44
Rot. Bonds4

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

4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65116389) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
PubChem CID65116389
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNCC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-8-2-4-10(17,5-3-8)7-15-6-9(16)11(12,13)14/h8-9,15-17H,2-7H2,1H3
InChIKeyZPAOBQOYIGAAQZ-UHFFFAOYSA-N
XLogP1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (CID 65116389) is 4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is CC1CCC(O)(CNCC(O)C(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is ZPAOBQOYIGAAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8-2-4-10(17,5-3-8)7-15-6-9(16)11(12,13)14/h8-9,15-17H,2-7H2,1H3.
What are the key properties of 4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).