[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine

C12H10F4N2O — CID 105250289

IUPAC[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine
SMILESNNC(c1ccoc1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H10F4N2O/c13-10-2-1-8(12(14,15)16)5-9(10)11(18-17)7-3-4-19-6-7/h1-6,11,18H,17H2
InChIKeyHMWCJWBSOLXQSX-UHFFFAOYSA-N
MW274.22 g/mol
LogP2.99
Rot. Bonds3

About [[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine

[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine (PubChem CID 105250289) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is [[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine
PubChem CID105250289
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine
SMILESNNC(c1ccoc1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H10F4N2O/c13-10-2-1-8(12(14,15)16)5-9(10)11(18-17)7-3-4-19-6-7/h1-6,11,18H,17H2
InChIKeyHMWCJWBSOLXQSX-UHFFFAOYSA-N
XLogP2.99
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.99
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

[(4-fluorophenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250257
[[2-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105250235
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)ethanamine
CID 83183260
[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250266
[[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842935
[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250271
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine
CID 83183465
[(4-fluoro-3-methoxyphenyl)-(furan-3-yl)methyl]hydrazine
CID 105305835
2-[hydrazinyl(phenyl)methyl]-4-(trifluoromethyl)aniline
CID 105264842
[cyclopropyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250205
1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine
CID 105250213
[(4-chlorophenyl)-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257620

Frequently Asked Questions

What is the IUPAC name of [[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine?
The IUPAC name of [[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine (CID 105250289) is [[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine.
What is the SMILES notation for [[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine?
The canonical SMILES for [[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine is NNC(c1ccoc1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of [[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine?
The InChIKey is HMWCJWBSOLXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c13-10-2-1-8(12(14,15)16)5-9(10)11(18-17)7-3-4-19-6-7/h1-6,11,18H,17H2.
What are the key properties of [[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine?
[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine has a molecular weight of 274.22 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105250289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).