5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol

C15H13F4NO — CID 63065466

IUPAC5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
SMILESCC(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1O
InChIInChI=1S/C15H13F4NO/c1-9(13-7-4-11(16)8-14(13)21)20-12-5-2-10(3-6-12)15(17,18)19/h2-9,20-21H,1H3
InChIKeyYUKZHJPAFVSQHW-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.72
Rot. Bonds3

About 5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol

5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol (PubChem CID 63065466) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
PubChem CID63065466
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
SMILESCC(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1O
InChIInChI=1S/C15H13F4NO/c1-9(13-7-4-11(16)8-14(13)21)20-12-5-2-10(3-6-12)15(17,18)19/h2-9,20-21H,1H3
InChIKeyYUKZHJPAFVSQHW-UHFFFAOYSA-N
XLogP4.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.72
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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Related Compounds

5-fluoro-2-[1-(4-iodoanilino)ethyl]phenol
CID 63065839
4-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzenesulfonamide
CID 63066353
2-[1-(4-ethoxyanilino)ethyl]-5-fluorophenol
CID 63066351
4-methyl-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol
CID 43504634
5-fluoro-2-[1-(4-propoxyanilino)ethyl]phenol
CID 63068191
2-[1-(3-chloro-5-fluoroanilino)ethyl]-5-fluorophenol
CID 104584071
2-[1-(4-bromo-3,5-dimethylanilino)ethyl]-5-fluorophenol
CID 107572030
5-fluoro-2-[1-(thiophen-3-ylamino)ethyl]phenol
CID 66352112
5-fluoro-2-[1-(3-methoxyanilino)ethyl]phenol
CID 55146491
2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
CID 130023220
2-chloro-5-[1-(4-fluoro-2-hydroxyphenyl)ethylamino]benzoic acid
CID 63064819
5-fluoro-2-[1-(2,2,2-trifluoroethylamino)ethyl]phenol
CID 63064753

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol?
The IUPAC name of 5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol (CID 63065466) is 5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol.
What is the SMILES notation for 5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol?
The canonical SMILES for 5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol is CC(Nc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1O.
What is the InChIKey of 5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol?
The InChIKey is YUKZHJPAFVSQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-9(13-7-4-11(16)8-14(13)21)20-12-5-2-10(3-6-12)15(17,18)19/h2-9,20-21H,1H3.
What are the key properties of 5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol?
5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol has a molecular weight of 299.27 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[4-(trifluoromethyl)anilino]ethyl]phenol is sourced from PubChem (CID 63065466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).