1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene

C8HF7O — CID 154298039

IUPAC1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene
SMILESFC=C(F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8HF7O/c9-1-2(10)16-8-6(14)4(12)3(11)5(13)7(8)15/h1H
InChIKeyIKJQSNIHQYVHKV-UHFFFAOYSA-N
MW246.08 g/mol
LogP3.50
Rot. Bonds2

About 1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene

1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene (PubChem CID 154298039) has the molecular formula C8HF7O and a molecular weight of 246.08 g/mol. Its IUPAC name is 1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene
PubChem CID154298039
Molecular FormulaC8HF7O
Molecular Weight246.08 g/mol
Exact Mass245.99
IUPAC Name1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene
SMILESFC=C(F)Oc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8HF7O/c9-1-2(10)16-8-6(14)4(12)3(11)5(13)7(8)15/h1H
InChIKeyIKJQSNIHQYVHKV-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,4,5-tetrafluoro-3,6-bis(1,2,2-trifluoroethenoxy)benzene
CID 87818958
CID 136671200
CID 136671200
4-oxo-4-(2,3,4,5,6-pentafluorophenoxy)but-2-enoic acid
CID 173353746
(2,3,4,5,6-pentafluorophenyl) (Z)-3-methyl-4-oxopent-2-enoate
CID 58898522
1,2,3,4,5-pentafluoro-6-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxybenzene
CID 164842487
(2,3,4,5,6-pentafluorophenyl) 4-(prop-2-enoylamino)benzoate
CID 71412819
(2,3,4,5,6-pentafluorophenyl) 2-chloroprop-2-enoate
CID 23163869
(2,3,4,5,6-pentafluorophenyl) 2-hydroxypropanoate
CID 117051226
bis(2,3,4,5,6-pentafluorophenyl) pyridine-2,5-dicarboxylate
CID 11103094
ethane;(2,3,4,5,6-pentafluorophenyl) 4-hydroxybenzoate
CID 143222867
bis(2,3,4,5,6-pentafluorophenyl) nonanedioate
CID 14938956
1-O-[4-[4-oxo-4-(2,3,4,5,6-pentafluorophenoxy)butanoyl]oxybut-2-enyl] 4-O-(2,3,4,5,6-pentafluorophenyl) butanedioate
CID 123677913

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene (CID 154298039) is 1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene is FC=C(F)Oc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene?
The InChIKey is IKJQSNIHQYVHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF7O/c9-1-2(10)16-8-6(14)4(12)3(11)5(13)7(8)15/h1H.
What are the key properties of 1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene?
1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene has a molecular weight of 246.08 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoroethenoxy)-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 154298039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).