bis(4-fluorophenyl)methyl-oxophosphanium

C13H10F2OP+ — CID 154085746

IUPACbis(4-fluorophenyl)methyl-oxophosphanium
SMILESO=[PH+]C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H9F2OP/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8,13H/p+1
InChIKeyCTCBMKIKGGMWQP-UHFFFAOYSA-O
MW251.19 g/mol
LogP4.08
Rot. Bonds3

About bis(4-fluorophenyl)methyl-oxophosphanium

bis(4-fluorophenyl)methyl-oxophosphanium (PubChem CID 154085746) has the molecular formula C13H10F2OP+ and a molecular weight of 251.19 g/mol. Its IUPAC name is bis(4-fluorophenyl)methyl-oxophosphanium.

Molecular Properties

Compound Namebis(4-fluorophenyl)methyl-oxophosphanium
PubChem CID154085746
Molecular FormulaC13H10F2OP+
Molecular Weight251.19 g/mol
Exact Mass251.04
IUPAC Namebis(4-fluorophenyl)methyl-oxophosphanium
SMILESO=[PH+]C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C13H9F2OP/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8,13H/p+1
InChIKeyCTCBMKIKGGMWQP-UHFFFAOYSA-O
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 54.08
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

bis(4-fluorophenyl)methylsilane
CID 71348038
bis(4-fluorophenyl)methanamine
CID 10955039
1-fluoro-4-[2-fluoro-1-(4-fluorophenyl)ethyl]benzene
CID 170783572
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
1,2-bis(4-fluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 53420253
1,4-difluorobenzene bromide
CID 21301175
1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene
CID 139197607
1-fluoro-4-[(1S)-1-nitrosoethyl]benzene
CID 89270083
1-(4-fluorophenyl)ethyl acetate
CID 11286838
1-(4-fluorophenyl)ethyl methanesulfonate
CID 23188672
[(1S)-1-(4-fluorophenyl)ethyl] acetate
CID 11194691
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011

Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)methyl-oxophosphanium?
The IUPAC name of bis(4-fluorophenyl)methyl-oxophosphanium (CID 154085746) is bis(4-fluorophenyl)methyl-oxophosphanium.
What is the SMILES notation for bis(4-fluorophenyl)methyl-oxophosphanium?
The canonical SMILES for bis(4-fluorophenyl)methyl-oxophosphanium is O=[PH+]C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of bis(4-fluorophenyl)methyl-oxophosphanium?
The InChIKey is CTCBMKIKGGMWQP-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H9F2OP/c14-11-5-1-9(2-6-11)13(17-16)10-3-7-12(15)8-4-10/h1-8,13H/p+1.
What are the key properties of bis(4-fluorophenyl)methyl-oxophosphanium?
bis(4-fluorophenyl)methyl-oxophosphanium has a molecular weight of 251.19 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)methyl-oxophosphanium is sourced from PubChem (CID 154085746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).