[(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine

C13H17BrClFN2O2 — CID 106765410

IUPAC[(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
SMILESCOC1(C(NN)c2ccc(Br)c(Cl)c2F)CCOCC1
InChIInChI=1S/C13H17BrClFN2O2/c1-19-13(4-6-20-7-5-13)12(18-17)8-2-3-9(14)10(15)11(8)16/h2-3,12,18H,4-7,17H2,1H3
InChIKeyWCRVVXBDIBFPSU-UHFFFAOYSA-N
MW367.65 g/mol
LogP2.94
Rot. Bonds4

About [(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine

[(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine (PubChem CID 106765410) has the molecular formula C13H17BrClFN2O2 and a molecular weight of 367.65 g/mol. Its IUPAC name is [(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
PubChem CID106765410
Molecular FormulaC13H17BrClFN2O2
Molecular Weight367.65 g/mol
Exact Mass366.01
IUPAC Name[(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
SMILESCOC1(C(NN)c2ccc(Br)c(Cl)c2F)CCOCC1
InChIInChI=1S/C13H17BrClFN2O2/c1-19-13(4-6-20-7-5-13)12(18-17)8-2-3-9(14)10(15)11(8)16/h2-3,12,18H,4-7,17H2,1H3
InChIKeyWCRVVXBDIBFPSU-UHFFFAOYSA-N
XLogP2.94
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.65
LogP ≤ 52.94
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'}

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Related Compounds

[(4-methoxyoxan-4-yl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105276457
(4-bromo-3-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 106763038
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(1-methoxycyclobutyl)ethyl]hydrazine
CID 106765549
[(3-chlorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 105276690
[1-(4-bromo-3-chloro-2-fluorophenyl)-2,2-dimethoxyethyl]hydrazine
CID 106765325
[(4-chloro-2-fluorophenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268763
[(2,6-dimethoxyphenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 105276635
[(4-bromo-3-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methyl]hydrazine
CID 107005915
[(2,3-difluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 105278208
(4-bromo-3-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methanamine
CID 106763019
[(2-chloro-5-fluorophenyl)-(1-methoxycycloheptyl)methyl]hydrazine
CID 105397994
N-[(2,3-difluorophenyl)-(4-methoxyoxan-4-yl)methyl]ethanamine
CID 116765066

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine (CID 106765410) is [(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine is COC1(C(NN)c2ccc(Br)c(Cl)c2F)CCOCC1.
What is the InChIKey of [(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine?
The InChIKey is WCRVVXBDIBFPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClFN2O2/c1-19-13(4-6-20-7-5-13)12(18-17)8-2-3-9(14)10(15)11(8)16/h2-3,12,18H,4-7,17H2,1H3.
What are the key properties of [(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine?
[(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine has a molecular weight of 367.65 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-chloro-2-fluorophenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine is sourced from PubChem (CID 106765410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).