2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol

C20H21F4N5O2 — CID 137428764

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol
SMILESCOC/C=C\c1ccc(C(F)(F)C(O)(CN2C=NN(C)N2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C20H21F4N5O2/c1-28-26-13-29(27-28)12-19(30,16-7-6-15(21)10-17(16)22)20(23,24)18-8-5-14(11-25-18)4-3-9-31-2/h3-8,10-11,13,27,30H,9,12H2,1-2H3/b4-3-
InChIKeyOXRQYQIWYPRPHD-ARJAWSKDSA-N
MW439.41 g/mol
LogP2.61
Rot. Bonds8

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol (PubChem CID 137428764) has the molecular formula C20H21F4N5O2 and a molecular weight of 439.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol
PubChem CID137428764
Molecular FormulaC20H21F4N5O2
Molecular Weight439.41 g/mol
Exact Mass439.16
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol
SMILESCOC/C=C\c1ccc(C(F)(F)C(O)(CN2C=NN(C)N2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C20H21F4N5O2/c1-28-26-13-29(27-28)12-19(30,16-7-6-15(21)10-17(16)22)20(23,24)18-8-5-14(11-25-18)4-3-9-31-2/h3-8,10-11,13,27,30H,9,12H2,1-2H3/b4-3-
InChIKeyOXRQYQIWYPRPHD-ARJAWSKDSA-N
XLogP2.61
TPSA73.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-1-[5-[(E)-3-ethoxyprop-1-enyl]-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;2-(2,4-difluorophenyl)-1-[5-(3-ethoxypropyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
CID 160926030
(2R)-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-3-(2,3-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol
CID 126716684
(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
CID 118397061
4-[6-[2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoro-2-methoxypropyl]-3-pyridinyl]but-3-en-2-one
CID 123514291
(2E)-2-[[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]methylidene]butanoic acid
CID 137422309
(E)-4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]but-3-en-2-ol;(E)-4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]but-3-en-2-one;methane
CID 159689800
2-(2,4-difluorophenyl)-1,1-difluoro-3-(2-methylidene-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-1-yl)-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]propan-2-ol
CID 162614245
1-[5-(5-chloropyrimidin-2-yl)oxy-2-pyridinyl]-2-(2,4-difluorophenyl)-3-(2,5-dihydrotetrazol-1-yl)-1,1-difluoropropan-2-ol
CID 123978845
1-(5-but-2-ynoxy-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-2-yl)propan-2-ol
CID 71138716
3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol
CID 118397062
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 118395266
2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)-3-(tetrazol-1-yl)propan-2-ol
CID 134572212

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol (CID 137428764) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol is COC/C=C\c1ccc(C(F)(F)C(O)(CN2C=NN(C)N2)c2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol?
The InChIKey is OXRQYQIWYPRPHD-ARJAWSKDSA-N. The full InChI is InChI=1S/C20H21F4N5O2/c1-28-26-13-29(27-28)12-19(30,16-7-6-15(21)10-17(16)22)20(23,24)18-8-5-14(11-25-18)4-3-9-31-2/h3-8,10-11,13,27,30H,9,12H2,1-2H3/b4-3-.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol has a molecular weight of 439.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(Z)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(3-methyl-2H-tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 137428764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).