4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol

C11H20F3NO — CID 167249349

IUPAC4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCNCC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-2-7-15-8-9-3-5-10(16,6-4-9)11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyVYYPEMTVSGQJPT-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds4

About 4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol

4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 167249349) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID167249349
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCNCC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-2-7-15-8-9-3-5-10(16,6-4-9)11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyVYYPEMTVSGQJPT-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
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 4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol (CID 167249349) is 4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol is CCCNCC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is VYYPEMTVSGQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-7-15-8-9-3-5-10(16,6-4-9)11(12,13)14/h9,15-16H,2-8H2,1H3.
What are the key properties of 4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol?
4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylaminomethyl)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 167249349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).