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

C19H17F4N5O2 — CID 71143692

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESCOC/C=C/c1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C19H17F4N5O2/c1-30-8-2-3-13-4-7-17(24-10-13)19(22,23)18(29,11-28-12-25-26-27-28)15-6-5-14(20)9-16(15)21/h2-7,9-10,12,29H,8,11H2,1H3/b3-2+
InChIKeyHOUICIFTOXVMHJ-NSCUHMNNSA-N
MW423.37 g/mol
LogP2.69
Rot. Bonds8

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

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71143692) has the molecular formula C19H17F4N5O2 and a molecular weight of 423.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
PubChem CID71143692
Molecular FormulaC19H17F4N5O2
Molecular Weight423.37 g/mol
Exact Mass423.13
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESCOC/C=C/c1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C19H17F4N5O2/c1-30-8-2-3-13-4-7-17(24-10-13)19(22,23)18(29,11-28-12-25-26-27-28)15-6-5-14(20)9-16(15)21/h2-7,9-10,12,29H,8,11H2,1H3/b3-2+
InChIKeyHOUICIFTOXVMHJ-NSCUHMNNSA-N
XLogP2.69
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.37
LogP ≤ 52.69
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)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (CID 71143692) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is COC/C=C/c1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is HOUICIFTOXVMHJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H17F4N5O2/c1-30-8-2-3-13-4-7-17(24-10-13)19(22,23)18(29,11-28-12-25-26-27-28)15-6-5-14(20)9-16(15)21/h2-7,9-10,12,29H,8,11H2,1H3/b3-2+.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 423.37 g/mol, XLogP of 2.69, 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)-1,1-difluoro-1-[5-[(E)-3-methoxyprop-1-enyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71143692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).