2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol

C24H19F6N5O2 — CID 71667232

IUPAC2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol
SMILESCC(F)(c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1)C(O)(Cn1cnnn1)c1ccc(F)cc1F
InChIInChI=1S/C24H19F6N5O2/c1-22(27,23(36,12-35-14-32-33-34-35)19-8-5-17(25)10-20(19)26)21-9-4-16(11-31-21)15-2-6-18(7-3-15)37-13-24(28,29)30/h2-11,14,36H,12-13H2,1H3
InChIKeyFMHFVGODKSOEKV-UHFFFAOYSA-N
MW523.44 g/mol
LogP4.73
Rot. Bonds8

About 2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol

2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol (PubChem CID 71667232) has the molecular formula C24H19F6N5O2 and a molecular weight of 523.44 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol
PubChem CID71667232
Molecular FormulaC24H19F6N5O2
Molecular Weight523.44 g/mol
Exact Mass523.14
IUPAC Name2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol
SMILESCC(F)(c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1)C(O)(Cn1cnnn1)c1ccc(F)cc1F
InChIInChI=1S/C24H19F6N5O2/c1-22(27,23(36,12-35-14-32-33-34-35)19-8-5-17(25)10-20(19)26)21-9-4-16(11-31-21)15-2-6-18(7-3-15)37-13-24(28,29)30/h2-11,14,36H,12-13H2,1H3
InChIKeyFMHFVGODKSOEKV-UHFFFAOYSA-N
XLogP4.73
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.44
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol (CID 71667232) is 2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol is CC(F)(c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1)C(O)(Cn1cnnn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol?
The InChIKey is FMHFVGODKSOEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F6N5O2/c1-22(27,23(36,12-35-14-32-33-34-35)19-8-5-17(25)10-20(19)26)21-9-4-16(11-31-21)15-2-6-18(7-3-15)37-13-24(28,29)30/h2-11,14,36H,12-13H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol?
2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol has a molecular weight of 523.44 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-fluoro-1-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]butan-2-ol is sourced from PubChem (CID 71667232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).