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

C12H16F4N2O — CID 103151792

IUPAC[4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)Cc1cc(F)ccc1F
InChIInChI=1S/C12H16F4N2O/c13-9-1-2-11(14)8(5-9)6-10(18-17)3-4-19-7-12(15)16/h1-2,5,10,12,18H,3-4,6-7,17H2
InChIKeyOYAFJCWQJIPYEF-UHFFFAOYSA-N
MW280.26 g/mol
LogP2.01
Rot. Bonds8

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

[4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine (PubChem CID 103151792) has the molecular formula C12H16F4N2O and a molecular weight of 280.26 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine
PubChem CID103151792
Molecular FormulaC12H16F4N2O
Molecular Weight280.26 g/mol
Exact Mass280.12
IUPAC Name[4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)Cc1cc(F)ccc1F
InChIInChI=1S/C12H16F4N2O/c13-9-1-2-11(14)8(5-9)6-10(18-17)3-4-19-7-12(15)16/h1-2,5,10,12,18H,3-4,6-7,17H2
InChIKeyOYAFJCWQJIPYEF-UHFFFAOYSA-N
XLogP2.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 52.01
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

4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)-N-methylbutan-2-amine
CID 103149150
[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 103151796
1-(2,5-difluorophenyl)pentan-2-ylhydrazine
CID 105202060
[1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248918
[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine
CID 103151784
1-(2-chloro-4-fluorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149153
[1-(5-chloro-2-fluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 103053532
1-(5-chloro-2-fluorophenyl)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148864
[1-(2-chloro-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102930015
[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
CID 103152068
[1-(2-bromo-4-fluorophenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105296727
[1-(2-chloro-5-fluorophenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103152085

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine?
The IUPAC name of [4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine (CID 103151792) is [4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine?
The canonical SMILES for [4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine is NNC(CCOCC(F)F)Cc1cc(F)ccc1F.
What is the InChIKey of [4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine?
The InChIKey is OYAFJCWQJIPYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c13-9-1-2-11(14)8(5-9)6-10(18-17)3-4-19-7-12(15)16/h1-2,5,10,12,18H,3-4,6-7,17H2.
What are the key properties of [4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine?
[4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine has a molecular weight of 280.26 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 103151792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).