3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol

C11H20F3NO — CID 65121175

IUPAC3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
SMILESCC1CCCC(C1)(CNCCC(F)(F)F)O
InChIInChI=1S/C11H20F3NO/c1-9-3-2-4-10(16,7-9)8-15-6-5-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyBNZAMKPCSKWKOL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.60
Rot. Bonds4

About 3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol

3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol (PubChem CID 65121175) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
PubChem CID65121175
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
SMILESCC1CCCC(C1)(CNCCC(F)(F)F)O
InChIInChI=1S/C11H20F3NO/c1-9-3-2-4-10(16,7-9)8-15-6-5-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyBNZAMKPCSKWKOL-UHFFFAOYSA-N
XLogP2.60
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity220

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol (CID 65121175) is 3-methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol is CC1CCCC(C1)(CNCCC(F)(F)F)O.
What is the InChIKey of 3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The InChIKey is BNZAMKPCSKWKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9-3-2-4-10(16,7-9)8-15-6-5-11(12,13)14/h9,15-16H,2-8H2,1H3.
What are the key properties of 3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methyl-1-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65121175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).