[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine

C10H11ClF4N2 — CID 107894856

IUPAC[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Cl)c(F)c1)CC(F)(F)F
InChIInChI=1S/C10H11ClF4N2/c11-8-2-1-6(4-9(8)12)3-7(17-16)5-10(13,14)15/h1-2,4,7,17H,3,5,16H2
InChIKeyPEJHYGGJBMQPMP-UHFFFAOYSA-N
MW270.66 g/mol
LogP2.81
Rot. Bonds4

About [1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine

[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine (PubChem CID 107894856) has the molecular formula C10H11ClF4N2 and a molecular weight of 270.66 g/mol. Its IUPAC name is [1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
PubChem CID107894856
Molecular FormulaC10H11ClF4N2
Molecular Weight270.66 g/mol
Exact Mass270.05
IUPAC Name[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Cl)c(F)c1)CC(F)(F)F
InChIInChI=1S/C10H11ClF4N2/c11-8-2-1-6(4-9(8)12)3-7(17-16)5-10(13,14)15/h1-2,4,7,17H,3,5,16H2
InChIKeyPEJHYGGJBMQPMP-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.66
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206174
[1-(2,5-dichlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206142
[1-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453
[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 107895069
[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
CID 105205984
[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 107895084
[2-(4-chloro-3-fluorophenyl)-1-(2,6-dichlorophenyl)ethyl]hydrazine
CID 107895613
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
[1-(2,6-difluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206168
1-(4-chloro-3-fluorophenyl)-N-ethylbutan-2-amine
CID 107884533
1-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 107884509
[2-(4-chloro-3-fluorophenyl)-1-(2,4-dichlorophenyl)ethyl]hydrazine
CID 107895525

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine (CID 107894856) is [1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine is NNC(Cc1ccc(Cl)c(F)c1)CC(F)(F)F.
What is the InChIKey of [1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The InChIKey is PEJHYGGJBMQPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF4N2/c11-8-2-1-6(4-9(8)12)3-7(17-16)5-10(13,14)15/h1-2,4,7,17H,3,5,16H2.
What are the key properties of [1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine has a molecular weight of 270.66 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine is sourced from PubChem (CID 107894856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).