1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol

C14H11F4NO — CID 62810638

IUPAC1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
SMILESOC(CNc1cc(F)c(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C14H11F4NO/c15-10-4-2-1-3-9(10)13(20)7-19-8-5-11(16)14(18)12(17)6-8/h1-6,13,19-20H,7H2
InChIKeyNAOFQPLFYWYQJX-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.39
Rot. Bonds4

About 1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol

1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol (PubChem CID 62810638) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
PubChem CID62810638
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
SMILESOC(CNc1cc(F)c(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C14H11F4NO/c15-10-4-2-1-3-9(10)13(20)7-19-8-5-11(16)14(18)12(17)6-8/h1-6,13,19-20H,7H2
InChIKeyNAOFQPLFYWYQJX-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.39
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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Related Compounds

1-(2,5-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811175
1-(2,6-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811525
2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
CID 60896520
1-(2-fluorophenyl)-2-(3-methoxyanilino)ethanol
CID 60900716
2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol
CID 60902359
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 63333952
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
1-(2-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol
CID 56808438
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297
1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769940
3,5-difluoro-4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 133351495

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol (CID 62810638) is 1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol is OC(CNc1cc(F)c(F)c(F)c1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol?
The InChIKey is NAOFQPLFYWYQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-10-4-2-1-3-9(10)13(20)7-19-8-5-11(16)14(18)12(17)6-8/h1-6,13,19-20H,7H2.
What are the key properties of 1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol?
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol has a molecular weight of 285.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol is sourced from PubChem (CID 62810638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).