[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine

C13H20BrFN2O — CID 105274397

IUPAC[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)(OC)C(Cc1cc(F)cc(Br)c1)NN
InChIInChI=1S/C13H20BrFN2O/c1-4-13(2,18-3)12(17-16)7-9-5-10(14)8-11(15)6-9/h5-6,8,12,17H,4,7,16H2,1-3H3
InChIKeyQCBHQVDINRYNCH-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.78
Rot. Bonds6

About [1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine

[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine (PubChem CID 105274397) has the molecular formula C13H20BrFN2O and a molecular weight of 319.22 g/mol. Its IUPAC name is [1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
PubChem CID105274397
Molecular FormulaC13H20BrFN2O
Molecular Weight319.22 g/mol
Exact Mass318.07
IUPAC Name[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)(OC)C(Cc1cc(F)cc(Br)c1)NN
InChIInChI=1S/C13H20BrFN2O/c1-4-13(2,18-3)12(17-16)7-9-5-10(14)8-11(15)6-9/h5-6,8,12,17H,4,7,16H2,1-3H3
InChIKeyQCBHQVDINRYNCH-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-bromo-5-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105324889
[1-(4-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274321
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79708988
[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274512
1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028593
[1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine
CID 105271702
[1-(4-bromo-2-chlorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274474
[1-(furan-3-yl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274402
1-(3-bromo-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 79709303
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028595
[1-(3-bromo-5-fluorophenyl)-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105211313
methyl 3-(3-bromo-5-fluorophenyl)-2-hydroxypropanoate
CID 79701348

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine (CID 105274397) is [1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine is CCC(C)(OC)C(Cc1cc(F)cc(Br)c1)NN.
What is the InChIKey of [1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine?
The InChIKey is QCBHQVDINRYNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrFN2O/c1-4-13(2,18-3)12(17-16)7-9-5-10(14)8-11(15)6-9/h5-6,8,12,17H,4,7,16H2,1-3H3.
What are the key properties of [1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine?
[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine has a molecular weight of 319.22 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 105274397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).