1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene

C14H10F5O2P — CID 66796970

IUPAC1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene
SMILESO=P(OCC(F)(F)F)(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C14H10F5O2P/c15-10-5-1-3-7-12(10)22(20,21-9-14(17,18)19)13-8-4-2-6-11(13)16/h1-8H,9H2
InChIKeySVLFOSWSDHABKH-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.77
Rot. Bonds4

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

1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene (PubChem CID 66796970) has the molecular formula C14H10F5O2P and a molecular weight of 336.20 g/mol. Its IUPAC name is 1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene
PubChem CID66796970
Molecular FormulaC14H10F5O2P
Molecular Weight336.20 g/mol
Exact Mass336.03
IUPAC Name1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene
SMILESO=P(OCC(F)(F)F)(c1ccccc1F)c1ccccc1F
InChIInChI=1S/C14H10F5O2P/c15-10-5-1-3-7-12(10)22(20,21-9-14(17,18)19)13-8-4-2-6-11(13)16/h1-8H,9H2
InChIKeySVLFOSWSDHABKH-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene?
The IUPAC name of 1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene (CID 66796970) is 1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene.
What is the SMILES notation for 1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene?
The canonical SMILES for 1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene is O=P(OCC(F)(F)F)(c1ccccc1F)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene?
The InChIKey is SVLFOSWSDHABKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5O2P/c15-10-5-1-3-7-12(10)22(20,21-9-14(17,18)19)13-8-4-2-6-11(13)16/h1-8H,9H2.
What are the key properties of 1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene?
1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene has a molecular weight of 336.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(2-fluorophenyl)-(2,2,2-trifluoroethoxy)phosphoryl]benzene is sourced from PubChem (CID 66796970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).