2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol

C14H11BrF3NO — CID 60900638

IUPAC2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1c(F)cc(F)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H11BrF3NO/c15-11-5-10(17)6-12(18)14(11)19-7-13(20)8-1-3-9(16)4-2-8/h1-6,13,19-20H,7H2
InChIKeyNVHPYCRNRPPTPP-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.01
Rot. Bonds4

About 2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol

2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol (PubChem CID 60900638) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol
PubChem CID60900638
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol
SMILESOC(CNc1c(F)cc(F)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C14H11BrF3NO/c15-11-5-10(17)6-12(18)14(11)19-7-13(20)8-1-3-9(16)4-2-8/h1-6,13,19-20H,7H2
InChIKeyNVHPYCRNRPPTPP-UHFFFAOYSA-N
XLogP4.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60901393
(2S)-1-(2-bromo-4,6-difluoroanilino)propan-2-ol
CID 106931841
2-(4-fluoroanilino)-1-(4-fluorophenyl)ethanol
CID 60719916
2-(4-bromo-3-chloroanilino)-1-(4-fluorophenyl)ethanol
CID 107620086
2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104723407
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-(2-bromo-4,6-difluoroanilino)-N-(2,2-difluoroethyl)acetamide
CID 86816004
2-(2-bromo-4-fluoroanilino)-1-(4-nitrophenyl)ethanol
CID 115344898
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-(2-chloro-4,6-difluoroanilino)-1-(3-fluorophenyl)ethanol
CID 83081976

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol (CID 60900638) is 2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol is OC(CNc1c(F)cc(F)cc1Br)c1ccc(F)cc1.
What is the InChIKey of 2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol?
The InChIKey is NVHPYCRNRPPTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-11-5-10(17)6-12(18)14(11)19-7-13(20)8-1-3-9(16)4-2-8/h1-6,13,19-20H,7H2.
What are the key properties of 2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol?
2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol has a molecular weight of 346.15 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,6-difluoroanilino)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 60900638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).