2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol

C21H16F7N3O2 — CID 178082552

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol
SMILESNNCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C21H16F7N3O2/c22-14-4-7-16(17(23)9-14)19(32,11-31-29)20(24,25)18-8-3-13(10-30-18)12-1-5-15(6-2-12)33-21(26,27)28/h1-10,31-32H,11,29H2
InChIKeyBGWOBZIRLBUCII-UHFFFAOYSA-N
MW475.36 g/mol
LogP4.37
Rot. Bonds7

About 2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol (PubChem CID 178082552) has the molecular formula C21H16F7N3O2 and a molecular weight of 475.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol
PubChem CID178082552
Molecular FormulaC21H16F7N3O2
Molecular Weight475.36 g/mol
Exact Mass475.11
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol
SMILESNNCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C21H16F7N3O2/c22-14-4-7-16(17(23)9-14)19(32,11-31-29)20(24,25)18-8-3-13(10-30-18)12-1-5-15(6-2-12)33-21(26,27)28/h1-10,31-32H,11,29H2
InChIKeyBGWOBZIRLBUCII-UHFFFAOYSA-N
XLogP4.37
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propyl]methanimidamide
CID 178082572
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]pent-4-yn-2-ol
CID 89347709
CID 161178848
CID 161178848
(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
CID 126705297
[4-[6-[2-(2,4-difluorophenyl)-1,1-difluoro-2-hydroxy-3-(1,2,4-triazol-1-yl)propyl]-3-pyridinyl]phenyl] trifluoromethanesulfonate
CID 171811700
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2S)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol;(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
CID 162192469
N'-[2-(2,4-difluorophenyl)-3,3-difluoro-2-hydroxy-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propyl]-N-(methylamino)methanimidamide
CID 162564749
3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-iodo-2-pyridinyl)propan-2-ol
CID 118397062
(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
CID 118397061
(2R)-3-amino-1-(5-bromo-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 118395266
2-(2,4-difluorophenyl)-1,1-difluoro-3-(2-methylidene-1,4-diaza-2-azonia-3-azanidacyclopent-4-en-1-yl)-1-[5-(4-propan-2-yloxyphenyl)-2-pyridinyl]propan-2-ol
CID 162614245
N'-[[2-amino-2-(2,4-difluorophenyl)-3,3-difluoro-3-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propyl]amino]ethanimidamide
CID 178082584

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol (CID 178082552) is 2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol is NNCC(O)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol?
The InChIKey is BGWOBZIRLBUCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F7N3O2/c22-14-4-7-16(17(23)9-14)19(32,11-31-29)20(24,25)18-8-3-13(10-30-18)12-1-5-15(6-2-12)33-21(26,27)28/h1-10,31-32H,11,29H2.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol has a molecular weight of 475.36 g/mol, XLogP of 4.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-3-hydrazinyl-1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 178082552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).