1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine

C14H11F5N2O — CID 169386741

IUPAC1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine
SMILESFc1ccc(OC(F)(F)F)c(CNNc2ccccc2)c1F
InChIInChI=1S/C14H11F5N2O/c15-11-6-7-12(22-14(17,18)19)10(13(11)16)8-20-21-9-4-2-1-3-5-9/h1-7,20-21H,8H2
InChIKeyFHJLZZUVZFHHDT-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.98
Rot. Bonds5

About 1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine

1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine (PubChem CID 169386741) has the molecular formula C14H11F5N2O and a molecular weight of 318.25 g/mol. Its IUPAC name is 1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine
PubChem CID169386741
Molecular FormulaC14H11F5N2O
Molecular Weight318.25 g/mol
Exact Mass318.08
IUPAC Name1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine
SMILESFc1ccc(OC(F)(F)F)c(CNNc2ccccc2)c1F
InChIInChI=1S/C14H11F5N2O/c15-11-6-7-12(22-14(17,18)19)10(13(11)16)8-20-21-9-4-2-1-3-5-9/h1-7,20-21H,8H2
InChIKeyFHJLZZUVZFHHDT-UHFFFAOYSA-N
XLogP3.98
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,6-dichloro-3-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385518
1-[(2,4-difluoro-6-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386210
2-[(2-phenylhydrazinyl)methyl]-4-(trifluoromethoxy)aniline
CID 169386987
1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384542
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384474
1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine
CID 169386711
1-[[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methyl]-2-phenylhydrazine
CID 169385350
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
1-[(2,6-dibromophenyl)methyl]-2-phenylhydrazine
CID 169384469
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107342163
1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385373

Frequently Asked Questions

What is the IUPAC name of 1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine (CID 169386741) is 1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine is Fc1ccc(OC(F)(F)F)c(CNNc2ccccc2)c1F.
What is the InChIKey of 1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine?
The InChIKey is FHJLZZUVZFHHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N2O/c15-11-6-7-12(22-14(17,18)19)10(13(11)16)8-20-21-9-4-2-1-3-5-9/h1-7,20-21H,8H2.
What are the key properties of 1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine?
1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine has a molecular weight of 318.25 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).