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

C17H14F5N5O2 — CID 118384196

IUPAC1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol
SMILESOC(C(F)F)C(c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1)n1cnnn1
InChIInChI=1S/C17H14F5N5O2/c18-16(19)15(28)14(27-9-24-25-26-27)13-6-3-11(7-23-13)10-1-4-12(5-2-10)29-8-17(20,21)22/h1-7,9,14-16,28H,8H2
InChIKeyFWWQJQBTGJKFNF-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.89
Rot. Bonds7

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

1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol (PubChem CID 118384196) has the molecular formula C17H14F5N5O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol
PubChem CID118384196
Molecular FormulaC17H14F5N5O2
Molecular Weight415.32 g/mol
Exact Mass415.11
IUPAC Name1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol
SMILESOC(C(F)F)C(c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1)n1cnnn1
InChIInChI=1S/C17H14F5N5O2/c18-16(19)15(28)14(27-9-24-25-26-27)13-6-3-11(7-23-13)10-1-4-12(5-2-10)29-8-17(20,21)22/h1-7,9,14-16,28H,8H2
InChIKeyFWWQJQBTGJKFNF-UHFFFAOYSA-N
XLogP2.89
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol (CID 118384196) is 1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol is OC(C(F)F)C(c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1)n1cnnn1.
What is the InChIKey of 1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol?
The InChIKey is FWWQJQBTGJKFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N5O2/c18-16(19)15(28)14(27-9-24-25-26-27)13-6-3-11(7-23-13)10-1-4-12(5-2-10)29-8-17(20,21)22/h1-7,9,14-16,28H,8H2.
What are the key properties of 1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol?
1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol has a molecular weight of 415.32 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(tetrazol-1-yl)-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 118384196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).