1-(2,6-dichlorophenyl)hex-5-ynylhydrazine

C12H14Cl2N2 — CID 105333419

IUPAC1-(2,6-dichlorophenyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2/c1-2-3-4-8-11(16-15)12-9(13)6-5-7-10(12)14/h1,5-7,11,16H,3-4,8,15H2
InChIKeyIKZHSBLYGOGBFX-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.30
Rot. Bonds5

About 1-(2,6-dichlorophenyl)hex-5-ynylhydrazine

1-(2,6-dichlorophenyl)hex-5-ynylhydrazine (PubChem CID 105333419) has the molecular formula C12H14Cl2N2 and a molecular weight of 257.16 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)hex-5-ynylhydrazine
PubChem CID105333419
Molecular FormulaC12H14Cl2N2
Molecular Weight257.16 g/mol
Exact Mass256.05
IUPAC Name1-(2,6-dichlorophenyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2/c1-2-3-4-8-11(16-15)12-9(13)6-5-7-10(12)14/h1,5-7,11,16H,3-4,8,15H2
InChIKeyIKZHSBLYGOGBFX-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,6-dichlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313893
1-(2,6-dichlorophenyl)pent-4-enylhydrazine
CID 105311563
1-(2-methoxyphenyl)hex-5-ynylhydrazine
CID 105191170
1-(2,5-dibromophenyl)hex-5-ynylhydrazine
CID 105333449
1-(2,6-difluorophenyl)hept-6-yn-2-ylhydrazine
CID 105333318
1-[4-(trifluoromethyl)phenyl]hex-5-ynylhydrazine
CID 105333301
1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine
CID 105333477
1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine
CID 105333380
1-(4-chloro-3-fluorophenyl)-N-methylhex-5-yn-1-amine
CID 107995061
[1-(2-chloro-6-fluorophenyl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342808
1-(2,6-dichlorophenyl)-N-prop-2-ynylpropan-1-amine
CID 115707001
1-(5-iodothiophen-3-yl)hex-5-ynylhydrazine
CID 105333506

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)hex-5-ynylhydrazine?
The IUPAC name of 1-(2,6-dichlorophenyl)hex-5-ynylhydrazine (CID 105333419) is 1-(2,6-dichlorophenyl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(2,6-dichlorophenyl)hex-5-ynylhydrazine is C#CCCCC(NN)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)hex-5-ynylhydrazine?
The InChIKey is IKZHSBLYGOGBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2/c1-2-3-4-8-11(16-15)12-9(13)6-5-7-10(12)14/h1,5-7,11,16H,3-4,8,15H2.
What are the key properties of 1-(2,6-dichlorophenyl)hex-5-ynylhydrazine?
1-(2,6-dichlorophenyl)hex-5-ynylhydrazine has a molecular weight of 257.16 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)hex-5-ynylhydrazine is sourced from PubChem (CID 105333419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).