2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine

C13H17F3N2O — CID 176921449

IUPAC2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine
SMILESC=C(CCC)N(NC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-4-5-10(2)18(17-3)11-6-8-12(9-7-11)19-13(14,15)16/h6-9,17H,2,4-5H2,1,3H3
InChIKeyOPSRDSRTNBMSBY-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.84
Rot. Bonds6

About 2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine

2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine (PubChem CID 176921449) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine.

Molecular Properties

Compound Name2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine
PubChem CID176921449
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine
SMILESC=C(CCC)N(NC)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O/c1-4-5-10(2)18(17-3)11-6-8-12(9-7-11)19-13(14,15)16/h6-9,17H,2,4-5H2,1,3H3
InChIKeyOPSRDSRTNBMSBY-UHFFFAOYSA-N
XLogP3.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
CID 145273685
ethane;N-methyl-4-(trifluoromethoxy)aniline
CID 143206092
(3Z)-4-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]penta-1,3-diene-2,4-diamine;propane
CID 176922237
N-methyl-2-[4-(trifluoromethoxy)phenoxy]ethanamine
CID 18972791
N-(methylamino)-N-[4-(trifluoromethoxy)phenyl]methanimidamide
CID 134459357
3-methylidene-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 115781206
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-[4-(trifluoromethoxy)phenyl]carbamate
CID 59754625
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
N,N-dipropyl-4-(trifluoromethoxy)benzenesulfonamide
CID 17154292
1-(2,3-dimethylbut-3-en-2-yl)-4-(trifluoromethoxy)benzene
CID 70222036
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
N-(fluoroamino)sulfanyl-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
CID 144921521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine?
The IUPAC name of 2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine (CID 176921449) is 2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine.
What is the SMILES notation for 2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine?
The canonical SMILES for 2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine is C=C(CCC)N(NC)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine?
The InChIKey is OPSRDSRTNBMSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-4-5-10(2)18(17-3)11-6-8-12(9-7-11)19-13(14,15)16/h6-9,17H,2,4-5H2,1,3H3.
What are the key properties of 2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine?
2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine has a molecular weight of 274.29 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pent-1-en-2-yl-1-[4-(trifluoromethoxy)phenyl]hydrazine is sourced from PubChem (CID 176921449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).