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

C10H18F3NO2 — CID 64913050

IUPAC2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)9(16)6-14-5-7-3-1-2-4-8(7)15/h7-9,14-16H,1-6H2
InChIKeyXIBYMTBOVNRYEY-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.05
Rot. Bonds4

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

2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 64913050) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
PubChem CID64913050
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)9(16)6-14-5-7-3-1-2-4-8(7)15/h7-9,14-16H,1-6H2
InChIKeyXIBYMTBOVNRYEY-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol (CID 64913050) is 2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCC(O)C(F)(F)F.
What is the InChIKey of 2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is XIBYMTBOVNRYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)9(16)6-14-5-7-3-1-2-4-8(7)15/h7-9,14-16H,1-6H2.
What are the key properties of 2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol?
2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 241.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64913050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).