bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine

C27H22F4N2O — CID 174304693

IUPACbis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine
SMILESNN.O=C(c1ccc(F)c(F)c1Cc1ccccc1)c1ccc(F)c(F)c1Cc1ccccc1
InChIInChI=1S/C27H18F4O.H4N2/c28-23-13-11-19(21(25(23)30)15-17-7-3-1-4-8-17)27(32)20-12-14-24(29)26(31)22(20)16-18-9-5-2-6-10-18;1-2/h1-14H,15-16H2;1-2H2
InChIKeyLVBUFMSJNPSAMW-UHFFFAOYSA-N
MW466.48 g/mol
LogP5.47
Rot. Bonds6

About bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine

bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine (PubChem CID 174304693) has the molecular formula C27H22F4N2O and a molecular weight of 466.48 g/mol. Its IUPAC name is bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine.

Molecular Properties

Compound Namebis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine
PubChem CID174304693
Molecular FormulaC27H22F4N2O
Molecular Weight466.48 g/mol
Exact Mass466.17
IUPAC Namebis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine
SMILESNN.O=C(c1ccc(F)c(F)c1Cc1ccccc1)c1ccc(F)c(F)c1Cc1ccccc1
InChIInChI=1S/C27H18F4O.H4N2/c28-23-13-11-19(21(25(23)30)15-17-7-3-1-4-8-17)27(32)20-12-14-24(29)26(31)22(20)16-18-9-5-2-6-10-18;1-2/h1-14H,15-16H2;1-2H2
InChIKeyLVBUFMSJNPSAMW-UHFFFAOYSA-N
XLogP5.47
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.48
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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3,4-dibenzyl-2-fluorobenzamide
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2,3,4-trifluoro-N-phenylmethoxybenzamide
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(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
3,4-difluoro-2-phenylmethoxybenzoic acid
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3-benzylbenzene-1,2,4-tricarboxylic acid
CID 175791914
2-(2,3-difluoro-6-phenylmethoxyphenyl)acetamide
CID 91259658
2,3,4-trifluoro-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 108539998
benzyl 2,3-difluorobenzoate
CID 62867579
bis(2-cyclobutyl-3,4-difluorophenyl)methanone
CID 73011575
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CID 22593474

Frequently Asked Questions

What is the IUPAC name of bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine?
The IUPAC name of bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine (CID 174304693) is bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine.
What is the SMILES notation for bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine?
The canonical SMILES for bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine is NN.O=C(c1ccc(F)c(F)c1Cc1ccccc1)c1ccc(F)c(F)c1Cc1ccccc1.
What is the InChIKey of bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine?
The InChIKey is LVBUFMSJNPSAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F4O.H4N2/c28-23-13-11-19(21(25(23)30)15-17-7-3-1-4-8-17)27(32)20-12-14-24(29)26(31)22(20)16-18-9-5-2-6-10-18;1-2/h1-14H,15-16H2;1-2H2.
What are the key properties of bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine?
bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine has a molecular weight of 466.48 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzyl-3,4-difluorophenyl)methanone;hydrazine is sourced from PubChem (CID 174304693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).