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

C21H14F5N5O — CID 53497485

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H14F5N5O/c22-15-4-1-13(2-5-15)14-3-8-19(27-10-14)21(25,26)20(32,11-31-12-28-29-30-31)17-7-6-16(23)9-18(17)24/h1-10,12,32H,11H2
InChIKeyLIFCTIRUKQXXCV-UHFFFAOYSA-N
MW447.37 g/mol
LogP3.83
Rot. Bonds6

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

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 53497485) has the molecular formula C21H14F5N5O and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
PubChem CID53497485
Molecular FormulaC21H14F5N5O
Molecular Weight447.37 g/mol
Exact Mass447.11
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H14F5N5O/c22-15-4-1-13(2-5-15)14-3-8-19(27-10-14)21(25,26)20(32,11-31-12-28-29-30-31)17-7-6-16(23)9-18(17)24/h1-10,12,32H,11H2
InChIKeyLIFCTIRUKQXXCV-UHFFFAOYSA-N
XLogP3.83
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (CID 53497485) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is LIFCTIRUKQXXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F5N5O/c22-15-4-1-13(2-5-15)14-3-8-19(27-10-14)21(25,26)20(32,11-31-12-28-29-30-31)17-7-6-16(23)9-18(17)24/h1-10,12,32H,11H2.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 447.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-fluorophenyl)-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 53497485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).