[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine

C13H17F3N2O2 — CID 105276457

IUPAC[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESCOC1(C(NN)c2ccc(F)c(F)c2F)CCOCC1
InChIInChI=1S/C13H17F3N2O2/c1-19-13(4-6-20-7-5-13)12(18-17)8-2-3-9(14)11(16)10(8)15/h2-3,12,18H,4-7,17H2,1H3
InChIKeyWVXYNUBCZWOFDN-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.80
Rot. Bonds4

About [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine

[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 105276457) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID105276457
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESCOC1(C(NN)c2ccc(F)c(F)c2F)CCOCC1
InChIInChI=1S/C13H17F3N2O2/c1-19-13(4-6-20-7-5-13)12(18-17)8-2-3-9(14)11(16)10(8)15/h2-3,12,18H,4-7,17H2,1H3
InChIKeyWVXYNUBCZWOFDN-UHFFFAOYSA-N
XLogP1.80
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 106765410
[(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105276212
[(2,3-difluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 105278208
N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765066
[(2-methyloxolan-2-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105250675
[(4-chloro-2-fluorophenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268763
[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 105276690
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
[(2,6-dimethoxyphenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 105276635
[(2-fluorophenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275988
[(2-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 103397668
[(2,6-difluoro-3-methylphenyl)-(1-methoxycyclobutyl)methyl]hydrazine
CID 105270270

Frequently Asked Questions

What is the IUPAC name of [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 105276457) is [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine is COC1(C(NN)c2ccc(F)c(F)c2F)CCOCC1.
What is the InChIKey of [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is WVXYNUBCZWOFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-19-13(4-6-20-7-5-13)12(18-17)8-2-3-9(14)11(16)10(8)15/h2-3,12,18H,4-7,17H2,1H3.
What are the key properties of [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine has a molecular weight of 290.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105276457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).