1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine

C12H13F3N2O — CID 105307892

IUPAC1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c1-2-3-4-11(17-16)9-5-7-10(8-6-9)18-12(13,14)15/h1,5-8,11,17H,3-4,16H2
InChIKeyRUFCRWQPZUHNPL-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.50
Rot. Bonds5

About 1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine

1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine (PubChem CID 105307892) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine
PubChem CID105307892
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine
SMILESC#CCCC(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O/c1-2-3-4-11(17-16)9-5-7-10(8-6-9)18-12(13,14)15/h1,5-8,11,17H,3-4,16H2
InChIKeyRUFCRWQPZUHNPL-UHFFFAOYSA-N
XLogP2.50
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.50
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
1-[4-(trifluoromethoxy)phenyl]hex-5-enylhydrazine
CID 105311316
[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105290912
1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine
CID 105333301
[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
CID 105319572
[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105321443
N-methyl-1-[3-(trifluoromethoxy)phenyl]pent-4-yn-1-amine
CID 112749243
[2-thiophen-2-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105295517
1-but-3-ynoxy-4-(trifluoromethoxy)benzene
CID 115777016
1-pent-4-ynoxy-4-(trifluoromethoxy)benzene
CID 115872232
N-pent-4-ynyl-4-(trifluoromethoxy)aniline
CID 113343827
[4-methoxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105337978

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine (CID 105307892) is 1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine is C#CCCC(NN)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine?
The InChIKey is RUFCRWQPZUHNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-2-3-4-11(17-16)9-5-7-10(8-6-9)18-12(13,14)15/h1,5-8,11,17H,3-4,16H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine?
1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine has a molecular weight of 258.24 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine is sourced from PubChem (CID 105307892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).