1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol

C11H20F3NO — CID 64758874

IUPAC1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCNCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-2-6-15-8-10(16)5-3-4-9(7-10)11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyWKUGJUGIBXKZMW-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds4

About 1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64758874) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64758874
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCNCC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-2-6-15-8-10(16)5-3-4-9(7-10)11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyWKUGJUGIBXKZMW-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 1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 64758874) is 1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol is CCCNCC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WKUGJUGIBXKZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-6-15-8-10(16)5-3-4-9(7-10)11(12,13)14/h9,15-16H,2-8H2,1H3.
What are the key properties of 1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(propylaminomethyl)-3-(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 1-(propylaminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64758874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).