2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol

C20H15F4N5O — CID 71139333

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol
SMILESCc1ccc2nc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C20H15F4N5O/c1-12-2-6-17-13(8-12)3-7-18(26-17)20(23,24)19(30,10-29-11-25-27-28-29)15-5-4-14(21)9-16(15)22/h2-9,11,30H,10H2,1H3
InChIKeyDJMRCOHIQJQRNB-UHFFFAOYSA-N
MW417.37 g/mol
LogP3.49
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 71139333) has the molecular formula C20H15F4N5O and a molecular weight of 417.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol
PubChem CID71139333
Molecular FormulaC20H15F4N5O
Molecular Weight417.37 g/mol
Exact Mass417.12
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol
SMILESCc1ccc2nc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)ccc2c1
InChIInChI=1S/C20H15F4N5O/c1-12-2-6-17-13(8-12)3-7-18(26-17)20(23,24)19(30,10-29-11-25-27-28-29)15-5-4-14(21)9-16(15)22/h2-9,11,30H,10H2,1H3
InChIKeyDJMRCOHIQJQRNB-UHFFFAOYSA-N
XLogP3.49
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 53.49
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-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol (CID 71139333) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol is Cc1ccc2nc(C(F)(F)C(O)(Cn3cnnn3)c3ccc(F)cc3F)ccc2c1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is DJMRCOHIQJQRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5O/c1-12-2-6-17-13(8-12)3-7-18(26-17)20(23,24)19(30,10-29-11-25-27-28-29)15-5-4-14(21)9-16(15)22/h2-9,11,30H,10H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 417.37 g/mol, XLogP of 3.49, 5 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-(6-methylquinolin-2-yl)-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 71139333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).