2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol

C15H13F4NO — CID 82801499

IUPAC2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol
SMILESCc1ccc(F)c(NCC(O)c2cc(F)ccc2F)c1F
InChIInChI=1S/C15H13F4NO/c1-8-2-4-12(18)15(14(8)19)20-7-13(21)10-6-9(16)3-5-11(10)17/h2-6,13,20-21H,7H2,1H3
InChIKeyVJNROQAPYAZIIP-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.70
Rot. Bonds4

About 2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol

2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol (PubChem CID 82801499) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol
PubChem CID82801499
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol
SMILESCc1ccc(F)c(NCC(O)c2cc(F)ccc2F)c1F
InChIInChI=1S/C15H13F4NO/c1-8-2-4-12(18)15(14(8)19)20-7-13(21)10-6-9(16)3-5-11(10)17/h2-6,13,20-21H,7H2,1H3
InChIKeyVJNROQAPYAZIIP-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-(2,6-difluoro-3-methylanilino)ethanol
CID 82818248
1-(2,5-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811175
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297
1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol
CID 62815556
3-(2,6-difluoro-3-methylanilino)propane-1,2-diol
CID 82850159
6-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]hexanoic acid
CID 82316123
1-(2,5-difluorophenyl)-2-(ethoxyamino)ethanol
CID 60969966
1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
CID 54893307
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558
1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
2-(but-3-yn-2-ylamino)-1-(2,5-difluorophenyl)ethanol
CID 114416982

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol (CID 82801499) is 2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol is Cc1ccc(F)c(NCC(O)c2cc(F)ccc2F)c1F.
What is the InChIKey of 2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol?
The InChIKey is VJNROQAPYAZIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-8-2-4-12(18)15(14(8)19)20-7-13(21)10-6-9(16)3-5-11(10)17/h2-6,13,20-21H,7H2,1H3.
What are the key properties of 2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol?
2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol has a molecular weight of 299.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 82801499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).