[5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine

C8H6ClF3N2 — CID 168529065

IUPAC[5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine
SMILESNN=Cc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C8H6ClF3N2/c9-6-1-2-7(8(10,11)12)5(3-6)4-14-13/h1-4H,13H2
InChIKeyIJSKWFAPSDDRBJ-UHFFFAOYSA-N
MW222.60 g/mol
LogP2.65
Rot. Bonds1

About [5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine

[5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine (PubChem CID 168529065) has the molecular formula C8H6ClF3N2 and a molecular weight of 222.60 g/mol. Its IUPAC name is [5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine
PubChem CID168529065
Molecular FormulaC8H6ClF3N2
Molecular Weight222.60 g/mol
Exact Mass222.02
IUPAC Name[5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine
SMILESNN=Cc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C8H6ClF3N2/c9-6-1-2-7(8(10,11)12)5(3-6)4-14-13/h1-4H,13H2
InChIKeyIJSKWFAPSDDRBJ-UHFFFAOYSA-N
XLogP2.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.60
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(E)-prop-1-enyl]-1-(trifluoromethyl)benzene
CID 173483379
3-[5-chloro-2-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463990
[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methylidenehydrazine
CID 168530349
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
CID 168529149
(4-chloro-2-ethylphenyl)methylidenehydrazine
CID 168530938
[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]methylidenehydrazine
CID 168529818
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
1-[5-fluoro-2-(trifluoromethyl)phenyl]-N-methylmethanimine
CID 142918482
(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane
CID 176569325
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
4-chloro-2-(1,1-difluoroethyl)aniline
CID 123877907

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine?
The IUPAC name of [5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine (CID 168529065) is [5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine.
What is the SMILES notation for [5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine?
The canonical SMILES for [5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine is NN=Cc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of [5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine?
The InChIKey is IJSKWFAPSDDRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2/c9-6-1-2-7(8(10,11)12)5(3-6)4-14-13/h1-4H,13H2.
What are the key properties of [5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine?
[5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine has a molecular weight of 222.60 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(trifluoromethyl)phenyl]methylidenehydrazine is sourced from PubChem (CID 168529065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).