2-(2,3,4-trifluoroanilino)cyclohexan-1-ol

C12H14F3NO — CID 60885466

IUPAC2-(2,3,4-trifluoroanilino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3NO/c13-7-5-6-9(12(15)11(7)14)16-8-3-1-2-4-10(8)17/h5-6,8,10,16-17H,1-4H2
InChIKeyXOOUUOPLVMJSTM-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.82
Rot. Bonds2

About 2-(2,3,4-trifluoroanilino)cyclohexan-1-ol

2-(2,3,4-trifluoroanilino)cyclohexan-1-ol (PubChem CID 60885466) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(2,3,4-trifluoroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,3,4-trifluoroanilino)cyclohexan-1-ol
PubChem CID60885466
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-(2,3,4-trifluoroanilino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H14F3NO/c13-7-5-6-9(12(15)11(7)14)16-8-3-1-2-4-10(8)17/h5-6,8,10,16-17H,1-4H2
InChIKeyXOOUUOPLVMJSTM-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trifluoroanilino)cyclohexan-1-ol?
The IUPAC name of 2-(2,3,4-trifluoroanilino)cyclohexan-1-ol (CID 60885466) is 2-(2,3,4-trifluoroanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(2,3,4-trifluoroanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(2,3,4-trifluoroanilino)cyclohexan-1-ol is OC1CCCCC1Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4-trifluoroanilino)cyclohexan-1-ol?
The InChIKey is XOOUUOPLVMJSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-7-5-6-9(12(15)11(7)14)16-8-3-1-2-4-10(8)17/h5-6,8,10,16-17H,1-4H2.
What are the key properties of 2-(2,3,4-trifluoroanilino)cyclohexan-1-ol?
2-(2,3,4-trifluoroanilino)cyclohexan-1-ol has a molecular weight of 245.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trifluoroanilino)cyclohexan-1-ol is sourced from PubChem (CID 60885466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).