[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

C12H17F3N2O — CID 105193830

IUPAC[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESCCCOCC(NN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-2-6-18-8-11(17-16)9-4-3-5-10(7-9)12(13,14)15/h3-5,7,11,17H,2,6,8,16H2,1H3
InChIKeyNKGJYYVPJCQZPE-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.64
Rot. Bonds6

About [2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 105193830) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is [2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID105193830
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESCCCOCC(NN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O/c1-2-6-18-8-11(17-16)9-4-3-5-10(7-9)12(13,14)15/h3-5,7,11,17H,2,6,8,16H2,1H3
InChIKeyNKGJYYVPJCQZPE-UHFFFAOYSA-N
XLogP2.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.64
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
[1-(3-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105191587
1-[3-(trifluoromethyl)phenyl]nonylhydrazine
CID 105193857
[3-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]hydrazine
CID 103025278
[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105321443
[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
CID 105193980
[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105301345
3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112688216
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propoxyacetamide
CID 111108654
4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885

Frequently Asked Questions

What is the IUPAC name of [2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 105193830) is [2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is CCCOCC(NN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is NKGJYYVPJCQZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-6-18-8-11(17-16)9-4-3-5-10(7-9)12(13,14)15/h3-5,7,11,17H,2,6,8,16H2,1H3.
What are the key properties of [2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine has a molecular weight of 262.27 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105193830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).