[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine

C14H22F2N2O2 — CID 103151784

IUPAC[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine
SMILESCOc1ccc(C)cc1CC(CCOCC(F)F)NN
InChIInChI=1S/C14H22F2N2O2/c1-10-3-4-13(19-2)11(7-10)8-12(18-17)5-6-20-9-14(15)16/h3-4,7,12,14,18H,5-6,8-9,17H2,1-2H3
InChIKeySJVOUPGXDMHVMF-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.05
Rot. Bonds9

About [4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine

[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine (PubChem CID 103151784) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine
PubChem CID103151784
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine
SMILESCOc1ccc(C)cc1CC(CCOCC(F)F)NN
InChIInChI=1S/C14H22F2N2O2/c1-10-3-4-13(19-2)11(7-10)8-12(18-17)5-6-20-9-14(15)16/h3-4,7,12,14,18H,5-6,8-9,17H2,1-2H3
InChIKeySJVOUPGXDMHVMF-UHFFFAOYSA-N
XLogP2.05
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-methoxy-5-methylphenyl)-4-propoxybutan-2-yl]hydrazine
CID 105291973
[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 103151796
[4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine
CID 103151792
3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 103149128
1-(5-chloro-2-methoxyphenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 103149649
[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
CID 105225439
[1-(5-bromo-2-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151651
[1,1-dimethoxy-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
CID 105246103
[1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105203112
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
4-(2,2-difluoroethoxy)-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 103149423
[1-(1,4-dimethylpiperazin-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105247353

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine?
The IUPAC name of [4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine (CID 103151784) is [4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine?
The canonical SMILES for [4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine is COc1ccc(C)cc1CC(CCOCC(F)F)NN.
What is the InChIKey of [4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine?
The InChIKey is SJVOUPGXDMHVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-10-3-4-13(19-2)11(7-10)8-12(18-17)5-6-20-9-14(15)16/h3-4,7,12,14,18H,5-6,8-9,17H2,1-2H3.
What are the key properties of [4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine?
[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine has a molecular weight of 288.34 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 103151784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).