1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol

C14H11F4NO — CID 107644490

IUPAC1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol
SMILESOC(CNc1c(F)c(F)cc(F)c1F)c1ccccc1
InChIInChI=1S/C14H11F4NO/c15-9-6-10(16)13(18)14(12(9)17)19-7-11(20)8-4-2-1-3-5-8/h1-6,11,19-20H,7H2
InChIKeyNQGIDJYMIHGQGP-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.39
Rot. Bonds4

About 1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol

1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol (PubChem CID 107644490) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol
PubChem CID107644490
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol
SMILESOC(CNc1c(F)c(F)cc(F)c1F)c1ccccc1
InChIInChI=1S/C14H11F4NO/c15-9-6-10(16)13(18)14(12(9)17)19-7-11(20)8-4-2-1-3-5-8/h1-6,11,19-20H,7H2
InChIKeyNQGIDJYMIHGQGP-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_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
1-phenyl-2-[(2,4,5-trifluorophenyl)methylamino]ethanol
CID 103792326
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(4-chloro-2-iodoanilino)-1-phenylethanol
CID 101467777
2-[(2,3-difluorophenyl)methylamino]-1-phenylethanol
CID 43425224
2-[(2,5-difluorophenyl)methylamino]-1-phenylethanol
CID 43499154
1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
CID 133372605
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976
2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60900638
1-(4-chlorophenyl)-2-(2,3,5-trifluoroanilino)ethanol
CID 62809910
2-(2,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60900221

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol?
The IUPAC name of 1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol (CID 107644490) is 1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol.
What is the SMILES notation for 1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol?
The canonical SMILES for 1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol is OC(CNc1c(F)c(F)cc(F)c1F)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol?
The InChIKey is NQGIDJYMIHGQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c15-9-6-10(16)13(18)14(12(9)17)19-7-11(20)8-4-2-1-3-5-8/h1-6,11,19-20H,7H2.
What are the key properties of 1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol?
1-phenyl-2-(2,3,5,6-tetrafluoroanilino)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-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol is sourced from PubChem (CID 107644490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).