[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine

C12H17F3N2O2 — CID 105321443

IUPAC[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESCCCOCC(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2O2/c1-2-7-18-8-11(17-16)9-3-5-10(6-4-9)19-12(13,14)15/h3-6,11,17H,2,7-8,16H2,1H3
InChIKeyKLZDNPCOUVGUSA-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.52
Rot. Bonds7

About [2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine

[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine (PubChem CID 105321443) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is [2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
PubChem CID105321443
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESCCCOCC(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2O2/c1-2-7-18-8-11(17-16)9-3-5-10(6-4-9)19-12(13,14)15/h3-6,11,17H,2,7-8,16H2,1H3
InChIKeyKLZDNPCOUVGUSA-UHFFFAOYSA-N
XLogP2.52
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
CID 105319572
[2-propoxy-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193830
1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine
CID 105307892
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
[1-(3-methoxyphenyl)-2-propoxyethyl]hydrazine
CID 105191587
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105290912
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
1-[4-(trifluoromethoxy)phenyl]hex-5-enylhydrazine
CID 105311316
[2,2-dimethyl-1-[4-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 105305314

Frequently Asked Questions

What is the IUPAC name of [2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The IUPAC name of [2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine (CID 105321443) is [2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine.
What is the SMILES notation for [2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The canonical SMILES for [2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine is CCCOCC(NN)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The InChIKey is KLZDNPCOUVGUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c1-2-7-18-8-11(17-16)9-3-5-10(6-4-9)19-12(13,14)15/h3-6,11,17H,2,7-8,16H2,1H3.
What are the key properties of [2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine has a molecular weight of 278.27 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105321443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).