1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine

C20H17F3N2O — CID 169384996

IUPAC1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine
SMILESFc1cc(OCc2ccc(CNNc3ccccc3)cc2)cc(F)c1F
InChIInChI=1S/C20H17F3N2O/c21-18-10-17(11-19(22)20(18)23)26-13-15-8-6-14(7-9-15)12-24-25-16-4-2-1-3-5-16/h1-11,24-25H,12-13H2
InChIKeyGGJBYITYIOQPTN-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.80
Rot. Bonds7

About 1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine

1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine (PubChem CID 169384996) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is 1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine.

Molecular Properties

Compound Name1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine
PubChem CID169384996
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC Name1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine
SMILESFc1cc(OCc2ccc(CNNc3ccccc3)cc2)cc(F)c1F
InChIInChI=1S/C20H17F3N2O/c21-18-10-17(11-19(22)20(18)23)26-13-15-8-6-14(7-9-15)12-24-25-16-4-2-1-3-5-16/h1-11,24-25H,12-13H2
InChIKeyGGJBYITYIOQPTN-UHFFFAOYSA-N
XLogP4.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385678
methyl 4-[[4-[(2-phenylhydrazinyl)methyl]phenoxy]methyl]benzoate
CID 169385691
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
1-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385676
1-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385373
1-[[3-[(2,4-difluorophenoxy)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169384938
1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385920
1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384801
1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine
CID 169387081
1-[[4-(6-chloro-5-fluoro-3-pyridinyl)phenyl]methyl]-2-phenylhydrazine
CID 169386590
1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine
CID 169384890
1-[(4-ethoxy-2-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385540

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine?
The IUPAC name of 1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine (CID 169384996) is 1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine.
What is the SMILES notation for 1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine?
The canonical SMILES for 1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine is Fc1cc(OCc2ccc(CNNc3ccccc3)cc2)cc(F)c1F.
What is the InChIKey of 1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine?
The InChIKey is GGJBYITYIOQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c21-18-10-17(11-19(22)20(18)23)26-13-15-8-6-14(7-9-15)12-24-25-16-4-2-1-3-5-16/h1-11,24-25H,12-13H2.
What are the key properties of 1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine?
1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine has a molecular weight of 358.36 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine is sourced from PubChem (CID 169384996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).