1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine

C13H15F3N2 — CID 105333301

IUPAC1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2/c1-2-3-4-5-12(18-17)10-6-8-11(9-7-10)13(14,15)16/h1,6-9,12,18H,3-5,17H2
InChIKeyMSFYLALUPJVADX-UHFFFAOYSA-N
MW256.27 g/mol
LogP3.01
Rot. Bonds5

About 1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine

1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine (PubChem CID 105333301) has the molecular formula C13H15F3N2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine
PubChem CID105333301
Molecular FormulaC13H15F3N2
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC Name1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H15F3N2/c1-2-3-4-5-12(18-17)10-6-8-11(9-7-10)13(14,15)16/h1,6-9,12,18H,3-5,17H2
InChIKeyMSFYLALUPJVADX-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine
CID 105307892
[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302324
[3-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 103151641
1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-ynylhydrazine
CID 105307862
[3-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302363
[3-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302330
1-(2,6-dichlorophenyl)hex-5-ynylhydrazine
CID 105333419
1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine
CID 105333506
1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine
CID 105333345
[2-propoxy-1-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105210159
1-(2,5-dibromophenyl)hex-5-ynylhydrazine
CID 105333449
N-hex-5-ynyl-4-(trifluoromethyl)benzamide
CID 103758068

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine (CID 105333301) is 1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine is C#CCCCC(NN)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine?
The InChIKey is MSFYLALUPJVADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2/c1-2-3-4-5-12(18-17)10-6-8-11(9-7-10)13(14,15)16/h1,6-9,12,18H,3-5,17H2.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine?
1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine has a molecular weight of 256.27 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine is sourced from PubChem (CID 105333301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).