1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine

C14H14BrFN2 — CID 169387081

IUPAC1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine
SMILESFc1cc(CNNc2ccccc2)ccc1CBr
InChIInChI=1S/C14H14BrFN2/c15-9-12-7-6-11(8-14(12)16)10-17-18-13-4-2-1-3-5-13/h1-8,17-18H,9-10H2
InChIKeyURGNTBPMKYWYEE-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.84
Rot. Bonds5

About 1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine

1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine (PubChem CID 169387081) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine
PubChem CID169387081
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine
SMILESFc1cc(CNNc2ccccc2)ccc1CBr
InChIInChI=1S/C14H14BrFN2/c15-9-12-7-6-11(8-14(12)16)10-17-18-13-4-2-1-3-5-13/h1-8,17-18H,9-10H2
InChIKeyURGNTBPMKYWYEE-UHFFFAOYSA-N
XLogP3.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384474
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384360
1-[(2-bromo-3,5-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384645
1-(bromomethyl)-4-ethyl-2-fluorobenzene
CID 91883092
[4-(bromomethyl)-3-fluorophenyl]methanol
CID 72712924
1-[(2-fluoro-5-iodophenyl)methyl]-2-phenylhydrazine
CID 169384471
1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-2-phenylhydrazine
CID 169387145
1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine
CID 169384890
1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine
CID 169384996
1-[(4-ethoxy-2-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385540
1-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385385

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine (CID 169387081) is 1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine is Fc1cc(CNNc2ccccc2)ccc1CBr.
What is the InChIKey of 1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine?
The InChIKey is URGNTBPMKYWYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c15-9-12-7-6-11(8-14(12)16)10-17-18-13-4-2-1-3-5-13/h1-8,17-18H,9-10H2.
What are the key properties of 1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine?
1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine has a molecular weight of 309.18 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169387081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).