1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene

C8H4Cl2F4O — CID 54152778

IUPAC1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESFC(F)C(F)(F)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C8H4Cl2F4O/c9-4-2-1-3-5(10)6(4)15-8(13,14)7(11)12/h1-3,7H
InChIKeyLUAWWNNPTWJVQX-UHFFFAOYSA-N
MW263.02 g/mol
LogP4.23
Rot. Bonds3

About 1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene

1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene (PubChem CID 54152778) has the molecular formula C8H4Cl2F4O and a molecular weight of 263.02 g/mol. Its IUPAC name is 1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene
PubChem CID54152778
Molecular FormulaC8H4Cl2F4O
Molecular Weight263.02 g/mol
Exact Mass261.96
IUPAC Name1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene
SMILESFC(F)C(F)(F)Oc1c(Cl)cccc1Cl
InChIInChI=1S/C8H4Cl2F4O/c9-4-2-1-3-5(10)6(4)15-8(13,14)7(11)12/h1-3,7H
InChIKeyLUAWWNNPTWJVQX-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.02
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
CID 134625765
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
1-chloro-2-methyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 86066300
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
2-chloro-1-[3-chloro-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134617645
1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169
potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide
CID 166000083
3-chloro-2-(difluoromethoxy)benzaldehyde
CID 112611467
1-chloro-3-[3-chloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]urea
CID 174687505
2-bromo-1-chloro-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513372
1,3-dichloro-2-[chloro(difluoro)methyl]benzene
CID 174643582
4-O-(2,6-dichlorophenyl) 1-O-(2,2,3,3,4,4,5,5-octafluoropentyl) butanedioate
CID 91742217

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene?
The IUPAC name of 1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene (CID 54152778) is 1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene.
What is the SMILES notation for 1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene?
The canonical SMILES for 1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene is FC(F)C(F)(F)Oc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene?
The InChIKey is LUAWWNNPTWJVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2F4O/c9-4-2-1-3-5(10)6(4)15-8(13,14)7(11)12/h1-3,7H.
What are the key properties of 1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene?
1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene has a molecular weight of 263.02 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(1,1,2,2-tetrafluoroethoxy)benzene is sourced from PubChem (CID 54152778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).