[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine

C14H22F2N2O2 — CID 103151840

IUPAC[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
SMILESCC(C)Oc1cccc(C(CCOCC(F)F)NN)c1
InChIInChI=1S/C14H22F2N2O2/c1-10(2)20-12-5-3-4-11(8-12)13(18-17)6-7-19-9-14(15)16/h3-5,8,10,13-14,18H,6-7,9,17H2,1-2H3
InChIKeyPJMRGYAOFTVAIF-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.65
Rot. Bonds9

About [3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine

[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine (PubChem CID 103151840) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
PubChem CID103151840
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
SMILESCC(C)Oc1cccc(C(CCOCC(F)F)NN)c1
InChIInChI=1S/C14H22F2N2O2/c1-10(2)20-12-5-3-4-11(8-12)13(18-17)6-7-19-9-14(15)16/h3-5,8,10,13-14,18H,6-7,9,17H2,1-2H3
InChIKeyPJMRGYAOFTVAIF-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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

3-(2,2-difluoroethoxy)-N-methyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103149327
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 103148997
[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine
CID 103151788
[1-(3-chlorophenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103151942
1-(3-propan-2-yloxyphenyl)nonylhydrazine
CID 105294357
[3-phenyl-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 105205731
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 103147048
[2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105225417
[1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine
CID 112754856
N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428
[1-(3-propan-2-yloxyphenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 105326477

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine?
The IUPAC name of [3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine (CID 103151840) is [3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine is CC(C)Oc1cccc(C(CCOCC(F)F)NN)c1.
What is the InChIKey of [3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine?
The InChIKey is PJMRGYAOFTVAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-10(2)20-12-5-3-4-11(8-12)13(18-17)6-7-19-9-14(15)16/h3-5,8,10,13-14,18H,6-7,9,17H2,1-2H3.
What are the key properties of [3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine?
[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine has a molecular weight of 288.34 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine is sourced from PubChem (CID 103151840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).