[4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine

C8H5ClF6N2 — CID 156702121

IUPAC[4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine
SMILESNNc1cc(C(F)(F)F)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H5ClF6N2/c9-5-1-4(8(13,14)15)6(17-16)2-3(5)7(10,11)12/h1-2,17H,16H2
InChIKeyLNXQJPYVYXRUJW-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.66
Rot. Bonds1

About [4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine

[4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine (PubChem CID 156702121) has the molecular formula C8H5ClF6N2 and a molecular weight of 278.58 g/mol. Its IUPAC name is [4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine
PubChem CID156702121
Molecular FormulaC8H5ClF6N2
Molecular Weight278.58 g/mol
Exact Mass278.00
IUPAC Name[4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine
SMILESNNc1cc(C(F)(F)F)c(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H5ClF6N2/c9-5-1-4(8(13,14)15)6(17-16)2-3(5)7(10,11)12/h1-2,17H,16H2
InChIKeyLNXQJPYVYXRUJW-UHFFFAOYSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-hydrazinyl-4-(trifluoromethyl)benzenethiol
CID 131096464
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625
[5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride
CID 69179187
2,4-dichloro-5-(trifluoromethyl)benzenethiol
CID 121234788
2-chloro-4,5-bis(trifluoromethyl)aniline
CID 118812765
2-amino-5-chloro-4-(trifluoromethyl)benzenethiol
CID 82548296
[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine
CID 171014545
[3,5-dichloro-4-(trifluoromethyl)phenyl]hydrazine
CID 154931725
5-chloro-2-methyl-6-(trifluoromethyl)-1,3-dihydroisoindole
CID 156823016
[5-chloro-3-fluoro-2-(trifluoromethyl)phenyl]hydrazine
CID 168949864
5-chloro-6-(trifluoromethyl)-2-benzofuran
CID 91137003

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of [4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine (CID 156702121) is [4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for [4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for [4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine is NNc1cc(C(F)(F)F)c(Cl)cc1C(F)(F)F.
What is the InChIKey of [4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine?
The InChIKey is LNXQJPYVYXRUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF6N2/c9-5-1-4(8(13,14)15)6(17-16)2-3(5)7(10,11)12/h1-2,17H,16H2.
What are the key properties of [4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine?
[4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine has a molecular weight of 278.58 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2,5-bis(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 156702121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).