[3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane

C20H16F3P — CID 19764736

IUPAC[3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane
SMILESCc1cc(P(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3P/c1-15-12-16(20(21,22)23)14-19(13-15)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,1H3
InChIKeyHIQCYVGULAPDBN-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.77
Rot. Bonds3

About [3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane

[3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane (PubChem CID 19764736) has the molecular formula C20H16F3P and a molecular weight of 344.32 g/mol. Its IUPAC name is [3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane
PubChem CID19764736
Molecular FormulaC20H16F3P
Molecular Weight344.32 g/mol
Exact Mass344.09
IUPAC Name[3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane
SMILESCc1cc(P(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3P/c1-15-12-16(20(21,22)23)14-19(13-15)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,1H3
InChIKeyHIQCYVGULAPDBN-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane?
The IUPAC name of [3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane (CID 19764736) is [3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane?
The canonical SMILES for [3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane is Cc1cc(P(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of [3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane?
The InChIKey is HIQCYVGULAPDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3P/c1-15-12-16(20(21,22)23)14-19(13-15)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,1H3.
What are the key properties of [3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane?
[3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane has a molecular weight of 344.32 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 19764736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).