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

C24H16F9N5O2 — CID 53497491

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)C(F)(F)F)cc2)cn1
InChIInChI=1S/C24H16F9N5O2/c25-16-4-7-18(19(26)9-16)21(39,11-38-13-35-36-37-38)23(29,30)20-8-3-15(10-34-20)14-1-5-17(6-2-14)40-12-22(27,28)24(31,32)33/h1-10,13,39H,11-12H2
InChIKeyYTYDYXBYPZKLBW-UHFFFAOYSA-N
MW577.41 g/mol
LogP5.27
Rot. Bonds9

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

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 53497491) has the molecular formula C24H16F9N5O2 and a molecular weight of 577.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
PubChem CID53497491
Molecular FormulaC24H16F9N5O2
Molecular Weight577.41 g/mol
Exact Mass577.12
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol
SMILESOC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)C(F)(F)F)cc2)cn1
InChIInChI=1S/C24H16F9N5O2/c25-16-4-7-18(19(26)9-16)21(39,11-38-13-35-36-37-38)23(29,30)20-8-3-15(10-34-20)14-1-5-17(6-2-14)40-12-22(27,28)24(31,32)33/h1-10,13,39H,11-12H2
InChIKeyYTYDYXBYPZKLBW-UHFFFAOYSA-N
XLogP5.27
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol with MolForge

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Related Compounds

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CID 153933310
CID 153933310
CID 44357534
CID 44357534
CID 44357546
CID 44357546
CID 168283190
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CID 53497490
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CID 137370669
CID 137370669
CID 130232378
CID 130232378
CID 53497481
CID 53497481

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol (CID 53497491) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-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-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is OC(Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)C(F)(F)F)cc2)cn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is YTYDYXBYPZKLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F9N5O2/c25-16-4-7-18(19(26)9-16)21(39,11-38-13-35-36-37-38)23(29,30)20-8-3-15(10-34-20)14-1-5-17(6-2-14)40-12-22(27,28)24(31,32)33/h1-10,13,39H,11-12H2.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 577.41 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-2-pyridinyl]-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 53497491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).