[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine

C11H14BrClF2N2 — CID 106271023

IUPAC[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine
SMILESNNC(CCCCl)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrClF2N2/c12-9-3-4-10(14)8(11(9)15)6-7(17-16)2-1-5-13/h3-4,7,17H,1-2,5-6,16H2
InChIKeyFVQFTHUVDNCNJQ-UHFFFAOYSA-N
MW327.60 g/mol
LogP3.12
Rot. Bonds6

About [1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine

[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine (PubChem CID 106271023) has the molecular formula C11H14BrClF2N2 and a molecular weight of 327.60 g/mol. Its IUPAC name is [1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine
PubChem CID106271023
Molecular FormulaC11H14BrClF2N2
Molecular Weight327.60 g/mol
Exact Mass326.00
IUPAC Name[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine
SMILESNNC(CCCCl)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H14BrClF2N2/c12-9-3-4-10(14)8(11(9)15)6-7(17-16)2-1-5-13/h3-4,7,17H,1-2,5-6,16H2
InChIKeyFVQFTHUVDNCNJQ-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-1-(2,6-difluorophenyl)pentan-2-yl]hydrazine
CID 105235804
[1-(3-bromo-2,6-difluorophenyl)-4-cyclopentylbutan-2-yl]hydrazine
CID 106271862
[1-(3-bromo-2,6-difluorophenyl)-3-phenoxypropan-2-yl]hydrazine
CID 106270864
[1-(3-bromo-2,6-difluorophenyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 106270733
[1-(5-bromo-2-fluorophenyl)-5-chloropentan-2-yl]hydrazine
CID 105235622
1-(3-bromo-2,6-difluorophenyl)-N-methylhexan-2-amine
CID 114166237
[1-(3-bromo-2,6-difluorophenyl)-3-propoxypropan-2-yl]hydrazine
CID 106270835
1-(3-bromo-2,6-difluorophenyl)-5-ethoxy-N-methylpentan-2-amine
CID 106273617
[1-(3-bromo-2,6-difluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 106270740
[3-(3-bromo-2,6-difluorophenyl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 106271065
[5-chloro-1-(2,6-dichlorophenyl)pentan-2-yl]hydrazine
CID 105235514
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine (CID 106271023) is [1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine is NNC(CCCCl)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of [1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine?
The InChIKey is FVQFTHUVDNCNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClF2N2/c12-9-3-4-10(14)8(11(9)15)6-7(17-16)2-1-5-13/h3-4,7,17H,1-2,5-6,16H2.
What are the key properties of [1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine?
[1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine has a molecular weight of 327.60 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2,6-difluorophenyl)-5-chloropentan-2-yl]hydrazine is sourced from PubChem (CID 106271023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).