[3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone

C28H19F6OP — CID 140549408

IUPAC[3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone
SMILESC=P(c1ccccc1)(c1ccccc1)c1ccccc1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H19F6OP/c1-36(22-10-4-2-5-11-22,23-12-6-3-7-13-23)25-15-9-8-14-24(25)26(35)19-16-20(27(29,30)31)18-21(17-19)28(32,33)34/h2-18H,1H2
InChIKeyAXDMWZAUFVTCQP-UHFFFAOYSA-N
MW516.42 g/mol
LogP6.68
Rot. Bonds5

About [3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone

[3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone (PubChem CID 140549408) has the molecular formula C28H19F6OP and a molecular weight of 516.42 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone
PubChem CID140549408
Molecular FormulaC28H19F6OP
Molecular Weight516.42 g/mol
Exact Mass516.11
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone
SMILESC=P(c1ccccc1)(c1ccccc1)c1ccccc1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H19F6OP/c1-36(22-10-4-2-5-11-22,23-12-6-3-7-13-23)25-15-9-8-14-24(25)26(35)19-16-20(27(29,30)31)18-21(17-19)28(32,33)34/h2-18H,1H2
InChIKeyAXDMWZAUFVTCQP-UHFFFAOYSA-N
XLogP6.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.42
LogP ≤ 56.68
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

[3,5-bis(trifluoromethyl)phenyl]-(2-bromophenyl)methanone
CID 172878103
2,2,2-trifluoro-1-[3-[methylidene(diphenyl)-λ5-phosphanyl]-2-(2,2,2-trifluoroacetyl)phenyl]ethanone
CID 172831491
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 57261811
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332
(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970696
[3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone
CID 166848332
(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 63411424
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
1-[3,5-bis(trifluoromethyl)phenyl]-2-iodoethanone
CID 22138000
CID 161391832
CID 161391832
(2-benzoylphenyl)-ethylphosphinic acid
CID 141024977

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone (CID 140549408) is [3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone is C=P(c1ccccc1)(c1ccccc1)c1ccccc1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone?
The InChIKey is AXDMWZAUFVTCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F6OP/c1-36(22-10-4-2-5-11-22,23-12-6-3-7-13-23)25-15-9-8-14-24(25)26(35)19-16-20(27(29,30)31)18-21(17-19)28(32,33)34/h2-18H,1H2.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone?
[3,5-bis(trifluoromethyl)phenyl]-[2-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone has a molecular weight of 516.42 g/mol, XLogP of 6.68, 5 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-[methylidene(diphenyl)-λ5-phosphanyl]phenyl]methanone is sourced from PubChem (CID 140549408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).