1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene

C8H6F5O3P — CID 87247572

IUPAC1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene
SMILESO=P(F)(OCC(F)(F)F)Oc1ccccc1F
InChIInChI=1S/C8H6F5O3P/c9-6-3-1-2-4-7(6)16-17(13,14)15-5-8(10,11)12/h1-4H,5H2
InChIKeyVNAWMZQBSYBOIW-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.86
Rot. Bonds4

About 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene

1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene (PubChem CID 87247572) has the molecular formula C8H6F5O3P and a molecular weight of 276.10 g/mol. Its IUPAC name is 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene
PubChem CID87247572
Molecular FormulaC8H6F5O3P
Molecular Weight276.10 g/mol
Exact Mass276.00
IUPAC Name1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene
SMILESO=P(F)(OCC(F)(F)F)Oc1ccccc1F
InChIInChI=1S/C8H6F5O3P/c9-6-3-1-2-4-7(6)16-17(13,14)15-5-8(10,11)12/h1-4H,5H2
InChIKeyVNAWMZQBSYBOIW-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenyl phosphate
CID 12793
Dibutyl phenyl phosphate
CID 17312
Phosphorodichloridic acid, phenyl ester
CID 13038
Dietholate
CID 36106
Phenyl propan-2-yl hydrogen phosphate
CID 93246
Diethyl phenyl phosphate
CID 17280
Phosphoric acid, dimethyl phenyl ester
CID 82355
Phosphoric acid, monobutyl monophenyl ester
CID 15591288
Dipentyl phenyl phosphate
CID 16062459
Diphenyl phosphorofluoridate
CID 283501
Phenyl phosphorodifluoridate
CID 12640471
Phosphinic acid, dibutyl-, m-fluorophenyl ester
CID 202120

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene?
The IUPAC name of 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene (CID 87247572) is 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene.
What is the SMILES notation for 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene?
The canonical SMILES for 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene is O=P(F)(OCC(F)(F)F)Oc1ccccc1F.
What is the InChIKey of 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene?
The InChIKey is VNAWMZQBSYBOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5O3P/c9-6-3-1-2-4-7(6)16-17(13,14)15-5-8(10,11)12/h1-4H,5H2.
What are the key properties of 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene?
1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene has a molecular weight of 276.10 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 87247572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).