[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine

C12H14F6N2O — CID 103151641

IUPAC[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F6N2O/c13-11(14,15)7-21-6-5-10(20-19)8-1-3-9(4-2-8)12(16,17)18/h1-4,10,20H,5-7,19H2
InChIKeyAVGUMXYLIXJSJR-UHFFFAOYSA-N
MW316.25 g/mol
LogP3.18
Rot. Bonds6

About [3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine

[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine (PubChem CID 103151641) has the molecular formula C12H14F6N2O and a molecular weight of 316.25 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
PubChem CID103151641
Molecular FormulaC12H14F6N2O
Molecular Weight316.25 g/mol
Exact Mass316.10
IUPAC Name[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F6N2O/c13-11(14,15)7-21-6-5-10(20-19)8-1-3-9(4-2-8)12(16,17)18/h1-4,10,20H,5-7,19H2
InChIKeyAVGUMXYLIXJSJR-UHFFFAOYSA-N
XLogP3.18
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-propoxy-1-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105210159
[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302324
[1-quinolin-7-yl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151703
[3-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302363
1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine
CID 105333301
[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151492
[1-(3-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151632
[3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302330
[1-(3-bromo-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 106649704
[3-(2-methoxyethoxy)-1-[2-methyl-4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 102930027
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207182
[1-(2-methoxy-3,4-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103436191

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine?
The IUPAC name of [3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine (CID 103151641) is [3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine.
What is the SMILES notation for [3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine?
The canonical SMILES for [3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine is NNC(CCOCC(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine?
The InChIKey is AVGUMXYLIXJSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2O/c13-11(14,15)7-21-6-5-10(20-19)8-1-3-9(4-2-8)12(16,17)18/h1-4,10,20H,5-7,19H2.
What are the key properties of [3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine?
[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine has a molecular weight of 316.25 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine is sourced from PubChem (CID 103151641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).