1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane

C8H6F5OP — CID 175406720

IUPAC1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane
SMILESFC(F)(F)C(F)(F)POc1ccccc1
InChIInChI=1S/C8H6F5OP/c9-7(10,11)8(12,13)15-14-6-4-2-1-3-5-6/h1-5,15H
InChIKeyIIVOPLOQTKSMBI-UHFFFAOYSA-N
MW244.10 g/mol
LogP3.81
Rot. Bonds3

About 1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane

1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane (PubChem CID 175406720) has the molecular formula C8H6F5OP and a molecular weight of 244.10 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane
PubChem CID175406720
Molecular FormulaC8H6F5OP
Molecular Weight244.10 g/mol
Exact Mass244.01
IUPAC Name1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane
SMILESFC(F)(F)C(F)(F)POc1ccccc1
InChIInChI=1S/C8H6F5OP/c9-7(10,11)8(12,13)15-14-6-4-2-1-3-5-6/h1-5,15H
InChIKeyIIVOPLOQTKSMBI-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.10
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

diphenoxyphosphane chloride
CID 19706010
2,3-dimethylbutan-2-yl(phenoxy)phosphane;hydrobromide
CID 175900993
trifluoromethoxybenzene
CID 157402708
phenoxyphosphinothious acid
CID 88675706
methoxy(1,1,2,2,2-pentafluoroethyl)phosphane
CID 175489815
(1,1,1-trifluoro-2-methylpropan-2-yl)oxybenzene
CID 91459981
1,1,1,3,3,3-hexafluoro-2-phenoxypropane-2-thiol
CID 144882533
trifluoromethoxybenzene fluoride
CID 158305019
sodium phenoxyphosphinite
CID 70406728
7-(fluoro-hydroxy-phenoxyphosphanylmethyl)naphthalene-2-carboxylic acid
CID 168981977
anisole;2,2,2-trifluoroacetic acid
CID 66633105
(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-10-phenoxydecoxy)benzene
CID 139606431

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane?
The IUPAC name of 1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane (CID 175406720) is 1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane?
The canonical SMILES for 1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane is FC(F)(F)C(F)(F)POc1ccccc1.
What is the InChIKey of 1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane?
The InChIKey is IIVOPLOQTKSMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5OP/c9-7(10,11)8(12,13)15-14-6-4-2-1-3-5-6/h1-5,15H.
What are the key properties of 1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane?
1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane has a molecular weight of 244.10 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane is sourced from PubChem (CID 175406720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).