2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol

C19H19ClF3N5O2 — CID 71138926

IUPAC2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESCC(C)COc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C19H19ClF3N5O2/c1-12(2)9-30-14-4-6-17(24-8-14)19(22,23)18(29,10-28-11-25-26-27-28)15-5-3-13(20)7-16(15)21/h3-8,11-12,29H,9-10H2,1-2H3
InChIKeyVFPWSFHERXTWGO-UHFFFAOYSA-N
MW441.84 g/mol
LogP3.58
Rot. Bonds8

About 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol

2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71138926) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
PubChem CID71138926
Molecular FormulaC19H19ClF3N5O2
Molecular Weight441.84 g/mol
Exact Mass441.12
IUPAC Name2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESCC(C)COc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(Cl)cc2F)nc1
InChIInChI=1S/C19H19ClF3N5O2/c1-12(2)9-30-14-4-6-17(24-8-14)19(22,23)18(29,10-28-11-25-26-27-28)15-5-3-13(20)7-16(15)21/h3-8,11-12,29H,9-10H2,1-2H3
InChIKeyVFPWSFHERXTWGO-UHFFFAOYSA-N
XLogP3.58
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (CID 71138926) is 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is CC(C)COc1ccc(C(F)(F)C(O)(Cn2cnnn2)c2ccc(Cl)cc2F)nc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is VFPWSFHERXTWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c1-12(2)9-30-14-4-6-17(24-8-14)19(22,23)18(29,10-28-11-25-26-27-28)15-5-3-13(20)7-16(15)21/h3-8,11-12,29H,9-10H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 441.84 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1,1-difluoro-1-[5-(2-methylpropoxy)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71138926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).