[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine

C14H20ClFN2O — CID 105267279

IUPAC[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Cl)CC1CCCCO1
InChIInChI=1S/C14H20ClFN2O/c15-14-8-11(16)5-4-10(14)7-12(18-17)9-13-3-1-2-6-19-13/h4-5,8,12-13,18H,1-3,6-7,9,17H2
InChIKeySQYZGDDYXDAZGB-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.81
Rot. Bonds5

About [1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine

[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine (PubChem CID 105267279) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is [1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
PubChem CID105267279
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(F)cc1Cl)CC1CCCCO1
InChIInChI=1S/C14H20ClFN2O/c15-14-8-11(16)5-4-10(14)7-12(18-17)9-13-3-1-2-6-19-13/h4-5,8,12-13,18H,1-3,6-7,9,17H2
InChIKeySQYZGDDYXDAZGB-UHFFFAOYSA-N
XLogP2.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.81
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-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 62607059
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
[1-(2,4-dichlorophenyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105200125
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657
1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 113391239
[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105267542
1-(2-chloro-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 63420165
1-(2-chloro-4-methylphenyl)-3-(oxan-2-yl)propan-2-amine
CID 106866342
[1-(3-bromothiophen-2-yl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267511
[1-(2-chloro-5-fluorophenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 102623436
1-(5-chloro-2-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103049082

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine (CID 105267279) is [1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine is NNC(Cc1ccc(F)cc1Cl)CC1CCCCO1.
What is the InChIKey of [1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine?
The InChIKey is SQYZGDDYXDAZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c15-14-8-11(16)5-4-10(14)7-12(18-17)9-13-3-1-2-6-19-13/h4-5,8,12-13,18H,1-3,6-7,9,17H2.
What are the key properties of [1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine?
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine has a molecular weight of 286.78 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105267279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).