6-[4-(trifluoromethyl)anilino]hexan-1-ol

C13H18F3NO — CID 103801964

IUPAC6-[4-(trifluoromethyl)anilino]hexan-1-ol
SMILESOCCCCCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)11-5-7-12(8-6-11)17-9-3-1-2-4-10-18/h5-8,17-18H,1-4,9-10H2
InChIKeyDOSSNVQCQLCOJE-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.67
Rot. Bonds7

About 6-[4-(trifluoromethyl)anilino]hexan-1-ol

6-[4-(trifluoromethyl)anilino]hexan-1-ol (PubChem CID 103801964) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)anilino]hexan-1-ol.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)anilino]hexan-1-ol
PubChem CID103801964
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name6-[4-(trifluoromethyl)anilino]hexan-1-ol
SMILESOCCCCCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO/c14-13(15,16)11-5-7-12(8-6-11)17-9-3-1-2-4-10-18/h5-8,17-18H,1-4,9-10H2
InChIKeyDOSSNVQCQLCOJE-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.67
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 6-[4-(trifluoromethyl)anilino]hexan-1-ol?
The IUPAC name of 6-[4-(trifluoromethyl)anilino]hexan-1-ol (CID 103801964) is 6-[4-(trifluoromethyl)anilino]hexan-1-ol.
What is the SMILES notation for 6-[4-(trifluoromethyl)anilino]hexan-1-ol?
The canonical SMILES for 6-[4-(trifluoromethyl)anilino]hexan-1-ol is OCCCCCCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-[4-(trifluoromethyl)anilino]hexan-1-ol?
The InChIKey is DOSSNVQCQLCOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c14-13(15,16)11-5-7-12(8-6-11)17-9-3-1-2-4-10-18/h5-8,17-18H,1-4,9-10H2.
What are the key properties of 6-[4-(trifluoromethyl)anilino]hexan-1-ol?
6-[4-(trifluoromethyl)anilino]hexan-1-ol has a molecular weight of 261.29 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)anilino]hexan-1-ol is sourced from PubChem (CID 103801964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).