(2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane

C22H17F6P — CID 151512986

IUPAC(2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESCc1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C22H17F6P/c1-14-4-3-5-20(15(14)2)29(18-10-6-16(7-11-18)21(23,24)25)19-12-8-17(9-13-19)22(26,27)28/h3-13H,1-2H3
InChIKeyPSWIAUWPIQUJSD-UHFFFAOYSA-N
MW426.34 g/mol
LogP6.10
Rot. Bonds3

About (2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane

(2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane (PubChem CID 151512986) has the molecular formula C22H17F6P and a molecular weight of 426.34 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane
PubChem CID151512986
Molecular FormulaC22H17F6P
Molecular Weight426.34 g/mol
Exact Mass426.10
IUPAC Name(2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESCc1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c1C
InChIInChI=1S/C22H17F6P/c1-14-4-3-5-20(15(14)2)29(18-10-6-16(7-11-18)21(23,24)25)19-12-8-17(9-13-19)22(26,27)28/h3-13H,1-2H3
InChIKeyPSWIAUWPIQUJSD-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.34
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
CID 90108584
(2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane
CID 90108633
1,2-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 134982830
[4-[bromo(difluoro)methyl]phenyl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 164667183
[1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 21470378
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane
CID 102469414
N-(2,3-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 2102456
6-bis[4-(trifluoromethyl)phenyl]phosphanyl-1H-pyridin-2-one
CID 102494598
1-(2,3-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 63527519
iodo-bis[4-(trifluoromethyl)phenyl]phosphane
CID 134344295
bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane
CID 90169485

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of (2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane (CID 151512986) is (2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for (2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for (2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane is Cc1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane?
The InChIKey is PSWIAUWPIQUJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6P/c1-14-4-3-5-20(15(14)2)29(18-10-6-16(7-11-18)21(23,24)25)19-12-8-17(9-13-19)22(26,27)28/h3-13H,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane?
(2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane has a molecular weight of 426.34 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 151512986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).