[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone

C16H11F6OP — CID 18514892

IUPAC[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone
SMILESCc1ccccc1PC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C16H11F6OP/c1-9-5-2-3-8-12(9)24-14(23)13-10(15(17,18)19)6-4-7-11(13)16(20,21)22/h2-8,24H,1H3
InChIKeyGLSXORKBAQCVSB-UHFFFAOYSA-N
MW364.23 g/mol
LogP5.18
Rot. Bonds3

About [2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone

[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone (PubChem CID 18514892) has the molecular formula C16H11F6OP and a molecular weight of 364.23 g/mol. Its IUPAC name is [2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone.

Molecular Properties

Compound Name[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone
PubChem CID18514892
Molecular FormulaC16H11F6OP
Molecular Weight364.23 g/mol
Exact Mass364.05
IUPAC Name[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone
SMILESCc1ccccc1PC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C16H11F6OP/c1-9-5-2-3-8-12(9)24-14(23)13-10(15(17,18)19)6-4-7-11(13)16(20,21)22/h2-8,24H,1H3
InChIKeyGLSXORKBAQCVSB-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.18
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

[2,6-bis(trifluoromethyl)phenyl]-[4-(1-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 173244485
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride
CID 173245177
lithium;(2-chloro-6-methylphenyl)-(2-methylphenyl)phosphanylmethanone;hydride
CID 173244894
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride
CID 173244361
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173245534
propan-2-yl 2-methyl-6-(trifluoromethyl)benzoate
CID 150068549
lithium;[4-ethoxy-2,6-bis(trifluoromethyl)phenyl]-(2-ethoxyphenyl)phosphanylmethanone;hydride
CID 173244560
lithium [2,6-bis(trifluoromethyl)phenyl]-(2,4,6-triphenoxyphenyl)phosphanylmethanone
CID 18515297
[2,4-bis(3-methylbutoxy)phenyl]phosphanyl-[2,6-bis(trifluoromethyl)phenyl]methanone
CID 18515186
[2,6-bis(trifluoromethyl)phenyl]-phenylphosphanylmethanone;pentyl acetate
CID 158856572
lithium [2,6-bis(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514583
2-(hydroxyamino)-1-[2-methyl-6-(trifluoromethyl)phenyl]ethanone
CID 163765835

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone?
The IUPAC name of [2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone (CID 18514892) is [2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone.
What is the SMILES notation for [2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone?
The canonical SMILES for [2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone is Cc1ccccc1PC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of [2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone?
The InChIKey is GLSXORKBAQCVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6OP/c1-9-5-2-3-8-12(9)24-14(23)13-10(15(17,18)19)6-4-7-11(13)16(20,21)22/h2-8,24H,1H3.
What are the key properties of [2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone?
[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone has a molecular weight of 364.23 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone is sourced from PubChem (CID 18514892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).