3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol

C14H11F4NO — CID 107715105

IUPAC3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
SMILESCC(Nc1cc(F)c(F)cc1F)c1ccc(O)cc1F
InChIInChI=1S/C14H11F4NO/c1-7(9-3-2-8(20)4-10(9)15)19-14-6-12(17)11(16)5-13(14)18/h2-7,19-20H,1H3
InChIKeySNNFXNBRWYIQBH-UHFFFAOYSA-N
MW285.24 g/mol
LogP4.12
Rot. Bonds3

About 3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol

3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol (PubChem CID 107715105) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
PubChem CID107715105
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
SMILESCC(Nc1cc(F)c(F)cc1F)c1ccc(O)cc1F
InChIInChI=1S/C14H11F4NO/c1-7(9-3-2-8(20)4-10(9)15)19-14-6-12(17)11(16)5-13(14)18/h2-7,19-20H,1H3
InChIKeySNNFXNBRWYIQBH-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
CID 107714598
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
CID 107714699
4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
CID 107714542
4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107715487
3-fluoro-4-[1-(3-methoxy-2,4-dimethylanilino)ethyl]phenol
CID 107714882
4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
CID 107714548
3-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-2-methylbenzamide
CID 107714808
4-[1-(5-bromo-2-fluoroanilino)ethyl]benzene-1,3-diol
CID 43555382
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
4-[1-(2,3,5,6-tetrafluoroanilino)ethyl]benzene-1,3-diol
CID 107643564
3-fluoro-4-[1-[3-(hydroxymethyl)anilino]ethyl]phenol
CID 107714824

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol (CID 107715105) is 3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol is CC(Nc1cc(F)c(F)cc1F)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol?
The InChIKey is SNNFXNBRWYIQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c1-7(9-3-2-8(20)4-10(9)15)19-14-6-12(17)11(16)5-13(14)18/h2-7,19-20H,1H3.
What are the key properties of 3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol?
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol has a molecular weight of 285.24 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol is sourced from PubChem (CID 107715105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).