[3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane

C15H11F6OP — CID 140618175

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane
SMILESCOc1ccccc1Pc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6OP/c1-22-12-4-2-3-5-13(12)23-11-7-9(14(16,17)18)6-10(8-11)15(19,20)21/h2-8,23H,1H3
InChIKeyHCDUXAVZUFDDDB-UHFFFAOYSA-N
MW352.21 g/mol
LogP4.36
Rot. Bonds3

About [3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane

[3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane (PubChem CID 140618175) has the molecular formula C15H11F6OP and a molecular weight of 352.21 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane
PubChem CID140618175
Molecular FormulaC15H11F6OP
Molecular Weight352.21 g/mol
Exact Mass352.05
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane
SMILESCOc1ccccc1Pc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6OP/c1-22-12-4-2-3-5-13(12)23-11-7-9(14(16,17)18)6-10(8-11)15(19,20)21/h2-8,23H,1H3
InChIKeyHCDUXAVZUFDDDB-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 54.36
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(2-methoxyphenyl)phosphane
CID 11679785
lithium;hydride;(2-methoxyphenyl)-phenylphosphane
CID 175008654
1-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
CID 148884492
5-methoxy-3-(trifluoromethyl)naphthalen-1-ol
CID 90487582
(2,3-dimethylphenyl)-(2-methoxyphenyl)phosphane
CID 174776553
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
2-fluoro-1-methoxy-3-phenyl-5-(trifluoromethyl)benzene
CID 164892984
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
(3,5-dimethylphenyl)-[2-[2-[2-(3,5-dimethylphenyl)propan-2-ylphosphanyl]-6-methoxyphenyl]-3-methoxyphenyl]phosphane
CID 142525801
[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]-[2-[2-[3-(difluoromethyl)-5-(trifluoromethyl)phenyl]phosphanyl-4-methoxy-6-methylphenyl]-5-methoxy-3-methylphenyl]phosphane
CID 162286018
1-[1-[3,5-bis(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)propan-2-yl]-4-cyclopentylpiperazine
CID 173316816
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane (CID 140618175) is [3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane is COc1ccccc1Pc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane?
The InChIKey is HCDUXAVZUFDDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6OP/c1-22-12-4-2-3-5-13(12)23-11-7-9(14(16,17)18)6-10(8-11)15(19,20)21/h2-8,23H,1H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane?
[3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane has a molecular weight of 352.21 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(2-methoxyphenyl)phosphane is sourced from PubChem (CID 140618175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).