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

C10H18F3NO2 — CID 65108740

IUPAC1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESOC(CNCC1(O)CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8(15)6-14-7-9(16)4-2-1-3-5-9/h8,14-16H,1-7H2
InChIKeyXSCFIIUSLJLBTD-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.19
Rot. Bonds4

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

1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65108740) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
PubChem CID65108740
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESOC(CNCC1(O)CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8(15)6-14-7-9(16)4-2-1-3-5-9/h8,14-16H,1-7H2
InChIKeyXSCFIIUSLJLBTD-UHFFFAOYSA-N
XLogP1.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (CID 65108740) is 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is OC(CNCC1(O)CCCCC1)C(F)(F)F.
What is the InChIKey of 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XSCFIIUSLJLBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8(15)6-14-7-9(16)4-2-1-3-5-9/h8,14-16H,1-7H2.
What are the key properties of 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 241.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65108740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).