chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine

C10H13Cl5N2O — CID 159749309

IUPACchloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine
SMILESCC(C)Oc1cc(NN)c(Cl)cc1Cl.ClC(Cl)Cl
InChIInChI=1S/C9H12Cl2N2O.CHCl3/c1-5(2)14-9-4-8(13-12)6(10)3-7(9)11;2-1(3)4/h3-5,13H,12H2,1-2H3;1H
InChIKeyNDLJGBNPQPHMBK-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.05
Rot. Bonds3

About chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine

chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine (PubChem CID 159749309) has the molecular formula C10H13Cl5N2O and a molecular weight of 354.49 g/mol. Its IUPAC name is chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine.

Molecular Properties

Compound Namechloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine
PubChem CID159749309
Molecular FormulaC10H13Cl5N2O
Molecular Weight354.49 g/mol
Exact Mass351.95
IUPAC Namechloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine
SMILESCC(C)Oc1cc(NN)c(Cl)cc1Cl.ClC(Cl)Cl
InChIInChI=1S/C9H12Cl2N2O.CHCl3/c1-5(2)14-9-4-8(13-12)6(10)3-7(9)11;2-1(3)4/h3-5,13H,12H2,1-2H3;1H
InChIKeyNDLJGBNPQPHMBK-UHFFFAOYSA-N
XLogP5.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-dichloro-2-methoxy-4-propan-2-yloxybenzene
CID 153108822
2,5-dichloro-4-propan-2-yloxyaniline
CID 84819900
(2,4,5-trichlorophenyl)hydrazine
CID 1381942
N-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 1484181
5-(2,4-dichloro-5-propan-2-yloxyanilino)-2,4-dimethyl-5-oxopentanoic acid
CID 167518145
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
2-amino-5-chloro-4-propan-2-yloxybenzonitrile
CID 20506444
(2,4-dichloro-5-propan-2-yloxyphenoxy)boronic acid
CID 139884509
5-chloro-2-fluoro-4-propan-2-yloxyaniline
CID 130516814
N-(2,4-dichloro-5-propan-2-yloxyphenyl)-3-fluorobenzenesulfonamide
CID 3704298
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978

Frequently Asked Questions

What is the IUPAC name of chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine?
The IUPAC name of chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine (CID 159749309) is chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine.
What is the SMILES notation for chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine?
The canonical SMILES for chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine is CC(C)Oc1cc(NN)c(Cl)cc1Cl.ClC(Cl)Cl.
What is the InChIKey of chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine?
The InChIKey is NDLJGBNPQPHMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O.CHCl3/c1-5(2)14-9-4-8(13-12)6(10)3-7(9)11;2-1(3)4/h3-5,13H,12H2,1-2H3;1H.
What are the key properties of chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine?
chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine has a molecular weight of 354.49 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloroform;(2,4-dichloro-5-propan-2-yloxyphenyl)hydrazine is sourced from PubChem (CID 159749309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).