3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol

C11H20F3NO — CID 104622120

IUPAC3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol
SMILESOCCCNCC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10-5-2-1-4-9(10)8-15-6-3-7-16/h9-10,15-16H,1-8H2
InChIKeyOHDYBOGNFAAVJR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds5

About 3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol

3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol (PubChem CID 104622120) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol
PubChem CID104622120
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol
SMILESOCCCNCC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10-5-2-1-4-9(10)8-15-6-3-7-16/h9-10,15-16H,1-8H2
InChIKeyOHDYBOGNFAAVJR-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol?
The IUPAC name of 3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol (CID 104622120) is 3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol.
What is the SMILES notation for 3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol?
The canonical SMILES for 3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol is OCCCNCC1CCCCC1C(F)(F)F.
What is the InChIKey of 3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol?
The InChIKey is OHDYBOGNFAAVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)10-5-2-1-4-9(10)8-15-6-3-7-16/h9-10,15-16H,1-8H2.
What are the key properties of 3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol?
3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(trifluoromethyl)cyclohexyl]methylamino]propan-1-ol is sourced from PubChem (CID 104622120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).