[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine

C13H17BrClFN2O — CID 106765387

IUPAC[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine
SMILESNNC(CC1CCCCO1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H17BrClFN2O/c14-10-5-4-9(13(16)12(10)15)11(18-17)7-8-3-1-2-6-19-8/h4-5,8,11,18H,1-3,6-7,17H2
InChIKeySQQFJVIYWWWQCU-UHFFFAOYSA-N
MW351.65 g/mol
LogP3.71
Rot. Bonds4

About [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine

[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine (PubChem CID 106765387) has the molecular formula C13H17BrClFN2O and a molecular weight of 351.65 g/mol. Its IUPAC name is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine
PubChem CID106765387
Molecular FormulaC13H17BrClFN2O
Molecular Weight351.65 g/mol
Exact Mass350.02
IUPAC Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine
SMILESNNC(CC1CCCCO1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C13H17BrClFN2O/c14-10-5-4-9(13(16)12(10)15)11(18-17)7-8-3-1-2-6-19-8/h4-5,8,11,18H,1-3,6-7,17H2
InChIKeySQQFJVIYWWWQCU-UHFFFAOYSA-N
XLogP3.71
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.65
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-(2,3-difluorophenyl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198582
[1-(2-methylphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267276
[1-(4-bromothiophen-3-yl)-2-(oxolan-2-yl)ethyl]hydrazine
CID 105198512
1-(4-bromo-3-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 106764781
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 106765191
[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314342
1-(3-bromo-2,6-difluorophenyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 106942992
[1-(5-chloro-2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267580
[1-(2-methoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267281
5-chloro-3-[1-hydrazinyl-2-(oxan-2-yl)ethyl]pyridin-2-amine
CID 105267477
3-[1-hydrazinyl-2-(oxan-2-yl)ethyl]pyridin-4-amine
CID 105267384
[1-(2,4-dimethoxyphenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 105267581

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine (CID 106765387) is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine is NNC(CC1CCCCO1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine?
The InChIKey is SQQFJVIYWWWQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClFN2O/c14-10-5-4-9(13(16)12(10)15)11(18-17)7-8-3-1-2-6-19-8/h4-5,8,11,18H,1-3,6-7,17H2.
What are the key properties of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine?
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine has a molecular weight of 351.65 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine is sourced from PubChem (CID 106765387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).