10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol

C18H28F3NO — CID 68907707

IUPAC10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol
SMILESCN(CCCCCCCCCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H28F3NO/c1-22(14-8-6-4-2-3-5-7-9-15-23)17-12-10-16(11-13-17)18(19,20)21/h10-13,23H,2-9,14-15H2,1H3
InChIKeyFQTKEENAHZLYEQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.25
Rot. Bonds11

About 10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol

10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol (PubChem CID 68907707) has the molecular formula C18H28F3NO and a molecular weight of 331.42 g/mol. Its IUPAC name is 10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol.

Molecular Properties

Compound Name10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol
PubChem CID68907707
Molecular FormulaC18H28F3NO
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol
SMILESCN(CCCCCCCCCCO)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H28F3NO/c1-22(14-8-6-4-2-3-5-7-9-15-23)17-12-10-16(11-13-17)18(19,20)21/h10-13,23H,2-9,14-15H2,1H3
InChIKeyFQTKEENAHZLYEQ-UHFFFAOYSA-N
XLogP5.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.25
H-Bond Donors ≤ 51
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 10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol?
The IUPAC name of 10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol (CID 68907707) is 10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol.
What is the SMILES notation for 10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol?
The canonical SMILES for 10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol is CN(CCCCCCCCCCO)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol?
The InChIKey is FQTKEENAHZLYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3NO/c1-22(14-8-6-4-2-3-5-7-9-15-23)17-12-10-16(11-13-17)18(19,20)21/h10-13,23H,2-9,14-15H2,1H3.
What are the key properties of 10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol?
10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol has a molecular weight of 331.42 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[N-methyl-4-(trifluoromethyl)anilino]decan-1-ol is sourced from PubChem (CID 68907707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).