diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane

C23H22F3OP — CID 170094465

IUPACdiethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane
SMILESCCP(CC)c1ccc(-c2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H22F3OP/c1-3-28(4-2)20-15-9-17(10-16-20)21-7-5-6-8-22(21)27-19-13-11-18(12-14-19)23(24,25)26/h5-16H,3-4H2,1-2H3
InChIKeyPMJFBNBXIDVRSI-UHFFFAOYSA-N
MW402.40 g/mol
LogP7.31
Rot. Bonds6

About diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane

diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane (PubChem CID 170094465) has the molecular formula C23H22F3OP and a molecular weight of 402.40 g/mol. Its IUPAC name is diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane.

Molecular Properties

Compound Namediethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane
PubChem CID170094465
Molecular FormulaC23H22F3OP
Molecular Weight402.40 g/mol
Exact Mass402.14
IUPAC Namediethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane
SMILESCCP(CC)c1ccc(-c2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H22F3OP/c1-3-28(4-2)20-15-9-17(10-16-20)21-7-5-6-8-22(21)27-19-13-11-18(12-14-19)23(24,25)26/h5-16H,3-4H2,1-2H3
InChIKeyPMJFBNBXIDVRSI-UHFFFAOYSA-N
XLogP7.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.40
LogP ≤ 57.31
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

ethane;4-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzoic acid
CID 169108803
2-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzene-1,4-diol
CID 174418680
1-methoxy-2-[4-(trifluoromethyl)phenoxy]benzene
CID 76546119
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
3-(4-fluorophenoxy)-4-[4-(trifluoromethyl)phenyl]thiophene
CID 56991558
2-[2-amino-3-[4-(trifluoromethyl)phenyl]phenoxy]-6-[4-(trifluoromethyl)phenyl]aniline
CID 57275612
1-ethynyl-2-[4-(trifluoromethyl)phenoxy]benzene
CID 155883074
tris[4-[2-(trifluoromethyl)phenoxy]phenyl]phosphane
CID 87300130
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617

Frequently Asked Questions

What is the IUPAC name of diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane?
The IUPAC name of diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane (CID 170094465) is diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane.
What is the SMILES notation for diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane?
The canonical SMILES for diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane is CCP(CC)c1ccc(-c2ccccc2Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane?
The InChIKey is PMJFBNBXIDVRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3OP/c1-3-28(4-2)20-15-9-17(10-16-20)21-7-5-6-8-22(21)27-19-13-11-18(12-14-19)23(24,25)26/h5-16H,3-4H2,1-2H3.
What are the key properties of diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane?
diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane has a molecular weight of 402.40 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[4-[2-[4-(trifluoromethyl)phenoxy]phenyl]phenyl]phosphane is sourced from PubChem (CID 170094465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).