4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol

C19H19F4N5O2 — CID 71143690

IUPAC4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol
SMILESCC(O)CCc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C19H19F4N5O2/c1-12(29)2-3-13-4-7-17(24-9-13)19(22,23)18(30,10-28-11-25-26-27-28)15-6-5-14(20)8-16(15)21/h4-9,11-12,29-30H,2-3,10H2,1H3
InChIKeyGHJPNGFQIGGZAE-UHFFFAOYSA-N
MW425.39 g/mol
LogP2.34
Rot. Bonds8

About 4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol

4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol (PubChem CID 71143690) has the molecular formula C19H19F4N5O2 and a molecular weight of 425.39 g/mol. Its IUPAC name is 4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol.

Molecular Properties

Compound Name4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol
PubChem CID71143690
Molecular FormulaC19H19F4N5O2
Molecular Weight425.39 g/mol
Exact Mass425.15
IUPAC Name4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol
SMILESCC(O)CCc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C19H19F4N5O2/c1-12(29)2-3-13-4-7-17(24-9-13)19(22,23)18(30,10-28-11-25-26-27-28)15-6-5-14(20)8-16(15)21/h4-9,11-12,29-30H,2-3,10H2,1H3
InChIKeyGHJPNGFQIGGZAE-UHFFFAOYSA-N
XLogP2.34
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol?
The IUPAC name of 4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol (CID 71143690) is 4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol.
What is the SMILES notation for 4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol?
The canonical SMILES for 4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol is CC(O)CCc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(F)cc2F)nc1.
What is the InChIKey of 4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol?
The InChIKey is GHJPNGFQIGGZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N5O2/c1-12(29)2-3-13-4-7-17(24-9-13)19(22,23)18(30,10-28-11-25-26-27-28)15-6-5-14(20)8-16(15)21/h4-9,11-12,29-30H,2-3,10H2,1H3.
What are the key properties of 4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol?
4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol has a molecular weight of 425.39 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]butan-2-ol is sourced from PubChem (CID 71143690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).