1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene

C10H9Cl3F2O2 — CID 19865481

IUPAC1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene
SMILESCCOc1ccc(OC(F)(F)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H9Cl3F2O2/c1-2-16-7-3-5-8(6-4-7)17-10(14,15)9(11,12)13/h3-6H,2H2,1H3
InChIKeyJENJVSLRCPUBCX-UHFFFAOYSA-N
MW305.54 g/mol
LogP4.43
Rot. Bonds4

About 1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene

1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene (PubChem CID 19865481) has the molecular formula C10H9Cl3F2O2 and a molecular weight of 305.54 g/mol. Its IUPAC name is 1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene
PubChem CID19865481
Molecular FormulaC10H9Cl3F2O2
Molecular Weight305.54 g/mol
Exact Mass303.96
IUPAC Name1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene
SMILESCCOc1ccc(OC(F)(F)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C10H9Cl3F2O2/c1-2-16-7-3-5-8(6-4-7)17-10(14,15)9(11,12)13/h3-6H,2H2,1H3
InChIKeyJENJVSLRCPUBCX-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.54
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
CID 174706040
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene
CID 54464789
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
1-[cyclopropyl(difluoro)methyl]-4-ethoxybenzene
CID 116841666
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene?
The IUPAC name of 1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene (CID 19865481) is 1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene.
What is the SMILES notation for 1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene?
The canonical SMILES for 1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene is CCOc1ccc(OC(F)(F)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene?
The InChIKey is JENJVSLRCPUBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3F2O2/c1-2-16-7-3-5-8(6-4-7)17-10(14,15)9(11,12)13/h3-6H,2H2,1H3.
What are the key properties of 1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene?
1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene has a molecular weight of 305.54 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(2,2,2-trichloro-1,1-difluoroethoxy)benzene is sourced from PubChem (CID 19865481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).