tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite

C16H18FO3P — CID 22399482

IUPACtert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite
SMILESCC(C)(C)OP(O)Oc1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C16H18FO3P/c1-16(2,3)20-21(18)19-15-7-5-4-6-14(15)12-8-10-13(17)11-9-12/h4-11,18H,1-3H3
InChIKeyOCECTHXWDXMUEK-UHFFFAOYSA-N
MW308.29 g/mol
LogP4.91
Rot. Bonds4

About tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite

tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite (PubChem CID 22399482) has the molecular formula C16H18FO3P and a molecular weight of 308.29 g/mol. Its IUPAC name is tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite.

Molecular Properties

Compound Nametert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite
PubChem CID22399482
Molecular FormulaC16H18FO3P
Molecular Weight308.29 g/mol
Exact Mass308.10
IUPAC Nametert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite
SMILESCC(C)(C)OP(O)Oc1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C16H18FO3P/c1-16(2,3)20-21(18)19-15-7-5-4-6-14(15)12-8-10-13(17)11-9-12/h4-11,18H,1-3H3
InChIKeyOCECTHXWDXMUEK-UHFFFAOYSA-N
XLogP4.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite?
The IUPAC name of tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite (CID 22399482) is tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite.
What is the SMILES notation for tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite?
The canonical SMILES for tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite is CC(C)(C)OP(O)Oc1ccccc1-c1ccc(F)cc1.
What is the InChIKey of tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite?
The InChIKey is OCECTHXWDXMUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FO3P/c1-16(2,3)20-21(18)19-15-7-5-4-6-14(15)12-8-10-13(17)11-9-12/h4-11,18H,1-3H3.
What are the key properties of tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite?
tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite has a molecular weight of 308.29 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite is sourced from PubChem (CID 22399482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).