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

C12H15BrClFN2O — CID 106765562

IUPAC[(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
SMILESCC1CCOC1C(NN)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H15BrClFN2O/c1-6-4-5-18-12(6)11(17-16)7-2-3-8(13)9(14)10(7)15/h2-3,6,11-12,17H,4-5,16H2,1H3
InChIKeyPTNOPCSUCHMUOS-UHFFFAOYSA-N
MW337.62 g/mol
LogP3.17
Rot. Bonds3

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

[(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine (PubChem CID 106765562) has the molecular formula C12H15BrClFN2O and a molecular weight of 337.62 g/mol. Its IUPAC name is [(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
PubChem CID106765562
Molecular FormulaC12H15BrClFN2O
Molecular Weight337.62 g/mol
Exact Mass336.00
IUPAC Name[(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
SMILESCC1CCOC1C(NN)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H15BrClFN2O/c1-6-4-5-18-12(6)11(17-16)7-2-3-8(13)9(14)10(7)15/h2-3,6,11-12,17H,4-5,16H2,1H3
InChIKeyPTNOPCSUCHMUOS-UHFFFAOYSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.62
LogP ≤ 53.17
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

[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 107516672
[(4-bromo-3-chloro-2-fluorophenyl)-(2,2-dimethylcyclopropyl)methyl]hydrazine
CID 107005915
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 106764501
[(3-bromothiophen-2-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105327960
[(4-bromo-3-chloro-2-fluorophenyl)-(4-propylmorpholin-2-yl)methyl]hydrazine
CID 106765331
[(4-bromo-3-chloro-2-fluorophenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 106765337
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 106765387
[2-(2-chloro-3-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]hydrazine
CID 105332898
N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
[(3-methyloxolan-2-yl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326187
(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxan-4-yl)methanol
CID 114242073
[3,4-dihydro-2H-pyran-5-yl-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105333267

Frequently Asked Questions

What is the IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine (CID 106765562) is [(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine is CC1CCOC1C(NN)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of [(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine?
The InChIKey is PTNOPCSUCHMUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClFN2O/c1-6-4-5-18-12(6)11(17-16)7-2-3-8(13)9(14)10(7)15/h2-3,6,11-12,17H,4-5,16H2,1H3.
What are the key properties of [(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine?
[(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine has a molecular weight of 337.62 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 106765562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).