[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine

C12H16Cl2F2N2O — CID 103152068

IUPAC[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2F2N2O/c13-10-2-1-3-11(14)9(10)6-8(18-17)4-5-19-7-12(15)16/h1-3,8,12,18H,4-7,17H2
InChIKeyJXETYLHTEKUEAE-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.04
Rot. Bonds8

About [1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine

[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103152068) has the molecular formula C12H16Cl2F2N2O and a molecular weight of 313.18 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
PubChem CID103152068
Molecular FormulaC12H16Cl2F2N2O
Molecular Weight313.18 g/mol
Exact Mass312.06
IUPAC Name[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
SMILESNNC(CCOCC(F)F)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2F2N2O/c13-10-2-1-3-11(14)9(10)6-8(18-17)4-5-19-7-12(15)16/h1-3,8,12,18H,4-7,17H2
InChIKeyJXETYLHTEKUEAE-UHFFFAOYSA-N
XLogP3.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.04
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-(2,6-dichlorophenyl)-4-propoxybutan-2-yl]hydrazine
CID 105293129
[1-(2-chloro-6-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151588
[5-chloro-1-(2,6-dichlorophenyl)pentan-2-yl]hydrazine
CID 105235514
[4-(2,2-difluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-yl]hydrazine
CID 103151932
[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine
CID 103151796
[4-(2,2-difluoroethoxy)-1-(furan-3-yl)butan-2-yl]hydrazine
CID 103151764
[4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine
CID 103151792
1-(2,3-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-ethylbutan-2-amine
CID 107309180
1-(2,6-dichlorophenyl)-4-ethoxy-N-ethylbutan-2-amine
CID 112688260
[1-(2-chloro-6-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477829
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
1-(2,6-dichlorophenyl)hept-6-en-2-ylhydrazine
CID 105209700

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine (CID 103152068) is [1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine is NNC(CCOCC(F)F)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is JXETYLHTEKUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2F2N2O/c13-10-2-1-3-11(14)9(10)6-8(18-17)4-5-19-7-12(15)16/h1-3,8,12,18H,4-7,17H2.
What are the key properties of [1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine?
[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 313.18 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103152068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).