[1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine

C13H20ClFN2O — CID 105342708

IUPAC[1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1ccc(Cl)cc1F)NN
InChIInChI=1S/C13H20ClFN2O/c1-2-6-18-7-5-12(17-16)8-10-3-4-11(14)9-13(10)15/h3-4,9,12,17H,2,5-8,16H2,1H3
InChIKeyRFIIUKZLHRINMT-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.67
Rot. Bonds8

About [1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine

[1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine (PubChem CID 105342708) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is [1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine
PubChem CID105342708
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name[1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine
SMILESCCCOCCC(Cc1ccc(Cl)cc1F)NN
InChIInChI=1S/C13H20ClFN2O/c1-2-6-18-7-5-12(17-16)8-10-3-4-11(14)9-13(10)15/h3-4,9,12,17H,2,5-8,16H2,1H3
InChIKeyRFIIUKZLHRINMT-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

[1-(4-chloro-2-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929991
1-(4-chloro-2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105190384
[1-(4-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283291
[1-(3-chlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105283445
1-(4-chloro-2-fluorophenyl)-3-propoxypropan-2-amine
CID 114855448
[1-(5-chloro-2-fluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 103053532
[1-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105293129
[1-(4-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105342687
1-(5-chloro-2-fluorophenyl)octan-2-ylhydrazine
CID 103053822
1-(5-chloro-2-fluorophenyl)decan-2-ylhydrazine
CID 103053761
[1-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 105214935
1-(2,4-difluorophenyl)hexan-2-ylhydrazine
CID 105223048

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine (CID 105342708) is [1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine is CCCOCCC(Cc1ccc(Cl)cc1F)NN.
What is the InChIKey of [1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine?
The InChIKey is RFIIUKZLHRINMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2O/c1-2-6-18-7-5-12(17-16)8-10-3-4-11(14)9-13(10)15/h3-4,9,12,17H,2,5-8,16H2,1H3.
What are the key properties of [1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine?
[1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine has a molecular weight of 274.77 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-fluorophenyl)-4-propoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105342708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).