difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium

C8H7F5OP+ — CID 23234580

IUPACdifluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium
SMILESFC(F)(F)CO[P+](F)(F)c1ccccc1
InChIInChI=1S/C8H7F5OP/c9-8(10,11)6-14-15(12,13)7-4-2-1-3-5-7/h1-5H,6H2/q+1
InChIKeySMFNCQNBEBATSZ-UHFFFAOYSA-N
MW245.11 g/mol
LogP3.59
Rot. Bonds3

About difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium

difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium (PubChem CID 23234580) has the molecular formula C8H7F5OP+ and a molecular weight of 245.11 g/mol. Its IUPAC name is difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium.

Molecular Properties

Compound Namedifluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium
PubChem CID23234580
Molecular FormulaC8H7F5OP+
Molecular Weight245.11 g/mol
Exact Mass245.01
IUPAC Namedifluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium
SMILESFC(F)(F)CO[P+](F)(F)c1ccccc1
InChIInChI=1S/C8H7F5OP/c9-8(10,11)6-14-15(12,13)7-4-2-1-3-5-7/h1-5H,6H2/q+1
InChIKeySMFNCQNBEBATSZ-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.11
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-phenyl-2-(2,2,2-trifluoroethoxy)acetic acid;hydrochloride
CID 66764263
sulfuryl dichloride;2,2,2-trifluoroethoxybenzene
CID 87396424
bis(2,2,3,3-tetrafluoropropoxy)methylbenzene
CID 12839498
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
trifluoro-phenyl-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 23413804
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
2-fluoro-2-(2,2,2-trifluoroethoxy)acetic acid
CID 79357398
1-phenylethenyl-bis(2,2,2-trifluoroethoxy)phosphane
CID 14341019
[3,5-bis(2,2,2-trifluoroethoxycarbonyl)phenyl]-diphenylsulfanium
CID 177131618
triphenyl(trifluoromethyl)phosphanium bromide
CID 175212392
(2S)-2-benzyl-3-[[(2S)-2-(2,2,2-trifluoroethoxy)propanoyl]amino]propanoic acid
CID 97234377

Frequently Asked Questions

What is the IUPAC name of difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium?
The IUPAC name of difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium (CID 23234580) is difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium.
What is the SMILES notation for difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium?
The canonical SMILES for difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium is FC(F)(F)CO[P+](F)(F)c1ccccc1.
What is the InChIKey of difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium?
The InChIKey is SMFNCQNBEBATSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5OP/c9-8(10,11)6-14-15(12,13)7-4-2-1-3-5-7/h1-5H,6H2/q+1.
What are the key properties of difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium?
difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium has a molecular weight of 245.11 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-phenyl-(2,2,2-trifluoroethoxy)phosphanium is sourced from PubChem (CID 23234580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).