2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol

C14H11F4NO — CID 115950943

IUPAC2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1c(F)cccc1CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F4NO/c15-12-3-1-2-9(13(12)20)8-19-11-6-4-10(5-7-11)14(16,17)18/h1-7,19-20H,8H2
InChIKeySCSXZRQVUAAXOG-UHFFFAOYSA-N
MW285.24 g/mol
LogP4.16
Rot. Bonds3

About 2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol

2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 115950943) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol
PubChem CID115950943
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1c(F)cccc1CNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F4NO/c15-12-3-1-2-9(13(12)20)8-19-11-6-4-10(5-7-11)14(16,17)18/h1-7,19-20H,8H2
InChIKeySCSXZRQVUAAXOG-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol (CID 115950943) is 2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol is Oc1c(F)cccc1CNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is SCSXZRQVUAAXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-12-3-1-2-9(13(12)20)8-19-11-6-4-10(5-7-11)14(16,17)18/h1-7,19-20H,8H2.
What are the key properties of 2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol?
2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol has a molecular weight of 285.24 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 115950943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).