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

C9H7F6O3P — CID 87247575

IUPAC1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene
SMILESCC(F)(F)C(F)(F)OP(=O)(F)Oc1ccccc1F
InChIInChI=1S/C9H7F6O3P/c1-8(11,12)9(13,14)18-19(15,16)17-7-5-3-2-4-6(7)10/h2-5H,1H3
InChIKeyVBRKATZBUYGNHI-UHFFFAOYSA-N
MW308.11 g/mol
LogP4.55
Rot. Bonds5

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

1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene (PubChem CID 87247575) has the molecular formula C9H7F6O3P and a molecular weight of 308.11 g/mol. Its IUPAC name is 1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene
PubChem CID87247575
Molecular FormulaC9H7F6O3P
Molecular Weight308.11 g/mol
Exact Mass308.00
IUPAC Name1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene
SMILESCC(F)(F)C(F)(F)OP(=O)(F)Oc1ccccc1F
InChIInChI=1S/C9H7F6O3P/c1-8(11,12)9(13,14)18-19(15,16)17-7-5-3-2-4-6(7)10/h2-5H,1H3
InChIKeyVBRKATZBUYGNHI-UHFFFAOYSA-N
XLogP4.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.11
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]oxybenzene
CID 87247572
1-diethylphosphoryloxy-2-fluorobenzene
CID 66797040
N-[(2-fluorophenoxy)-methylphosphoryl]-4-methylaniline
CID 2313149
carbon dioxide;1-fluoro-2-methoxybenzene
CID 159972007
(2-fluorophenyl) 2-amino-2-phenylpropanoate
CID 174648990
magnesium;1-fluoro-2-methoxybenzene;hydride
CID 174440812
2-fluoro-3-(2-fluorophenoxy)-2-methylpropan-1-amine
CID 105453372
(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117051075
N-bis(2-fluorophenoxy)phosphoryl-2,4,6-trimethylaniline
CID 2067423
(2-fluorophenyl) 2-(trifluoromethyl)prop-2-enoate
CID 91452013
1-[chloro(difluoro)methoxy]-2-fluorobenzene
CID 15681631
N-bis(2-fluorophenoxy)phosphoryl-3-methoxyaniline
CID 2313179

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene?
The IUPAC name of 1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene (CID 87247575) is 1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene.
What is the SMILES notation for 1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene?
The canonical SMILES for 1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene is CC(F)(F)C(F)(F)OP(=O)(F)Oc1ccccc1F.
What is the InChIKey of 1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene?
The InChIKey is VBRKATZBUYGNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6O3P/c1-8(11,12)9(13,14)18-19(15,16)17-7-5-3-2-4-6(7)10/h2-5H,1H3.
What are the key properties of 1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene?
1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene has a molecular weight of 308.11 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[fluoro(1,1,2,2-tetrafluoropropoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 87247575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).