[1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine

C11H11ClF6N2O — CID 103312781

IUPAC[1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
SMILESCOc1ccc(Cl)cc1C(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11ClF6N2O/c1-21-7-3-2-5(12)4-6(7)8(20-19)9(10(13,14)15)11(16,17)18/h2-4,8-9,20H,19H2,1H3
InChIKeyGTSQIJKRVGEVJM-UHFFFAOYSA-N
MW336.66 g/mol
LogP3.59
Rot. Bonds4

About [1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine

[1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine (PubChem CID 103312781) has the molecular formula C11H11ClF6N2O and a molecular weight of 336.66 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
PubChem CID103312781
Molecular FormulaC11H11ClF6N2O
Molecular Weight336.66 g/mol
Exact Mass336.05
IUPAC Name[1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
SMILESCOc1ccc(Cl)cc1C(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H11ClF6N2O/c1-21-7-3-2-5(12)4-6(7)8(20-19)9(10(13,14)15)11(16,17)18/h2-4,8-9,20H,19H2,1H3
InChIKeyGTSQIJKRVGEVJM-UHFFFAOYSA-N
XLogP3.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 53.59
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

1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636
[3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312886
[1-(5-chloro-2-methoxyphenyl)-2-methoxypentyl]hydrazine
CID 105271901
[(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105191297
[1-(5-chloro-2-methoxyphenyl)-2-cyclohexyl-2-methoxyethyl]hydrazine
CID 105278765
1-(5-chloro-2-methoxyphenyl)prop-2-enylhydrazine
CID 105318028
4-amino-3-(5-chloro-2-methoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 65190623
[1-(5-chloro-2-methoxyphenyl)-4-methylpentyl]hydrazine
CID 105207718
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
methyl 2-bromo-2-(5-chloro-2-methoxyphenyl)acetate
CID 82489876

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The IUPAC name of [1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine (CID 103312781) is [1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine is COc1ccc(Cl)cc1C(NN)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
The InChIKey is GTSQIJKRVGEVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF6N2O/c1-21-7-3-2-5(12)4-6(7)8(20-19)9(10(13,14)15)11(16,17)18/h2-4,8-9,20H,19H2,1H3.
What are the key properties of [1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine?
[1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine has a molecular weight of 336.66 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine is sourced from PubChem (CID 103312781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).