1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine

C12H15F3N2O — CID 105269576

IUPAC1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1ccc(OC(F)(F)F)cc1)NN
InChIInChI=1S/C12H15F3N2O/c1-2-3-10(17-16)8-9-4-6-11(7-5-9)18-12(13,14)15/h2,4-7,10,17H,1,3,8,16H2
InChIKeyGRNBTPSCCCEGBU-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.54
Rot. Bonds6

About 1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine

1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine (PubChem CID 105269576) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine
PubChem CID105269576
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine
SMILESC=CCC(Cc1ccc(OC(F)(F)F)cc1)NN
InChIInChI=1S/C12H15F3N2O/c1-2-3-10(17-16)8-9-4-6-11(7-5-9)18-12(13,14)15/h2,4-7,10,17H,1,3,8,16H2
InChIKeyGRNBTPSCCCEGBU-UHFFFAOYSA-N
XLogP2.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-ethylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-yl]hydrazine
CID 105225207
[4-methoxy-4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 103025250
[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
(1S)-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171227266
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
1-[4-(trifluoromethoxy)phenyl]hex-5-enylhydrazine
CID 105311316
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
[1-(1-methylcyclopentyl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296915
[3-ethoxy-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105270915
N-ethyl-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 115815205

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine (CID 105269576) is 1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine is C=CCC(Cc1ccc(OC(F)(F)F)cc1)NN.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine?
The InChIKey is GRNBTPSCCCEGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-3-10(17-16)8-9-4-6-11(7-5-9)18-12(13,14)15/h2,4-7,10,17H,1,3,8,16H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine?
1-[4-(trifluoromethoxy)phenyl]pent-4-en-2-ylhydrazine has a molecular weight of 260.26 g/mol, XLogP of 2.54, 6 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-en-2-ylhydrazine is sourced from PubChem (CID 105269576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).