1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene

C24H17F9 — CID 158487114

IUPAC1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
SMILESCCC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H17F9/c1-2-21(15-6-3-9-18(12-15)22(25,26)27,16-7-4-10-19(13-16)23(28,29)30)17-8-5-11-20(14-17)24(31,32)33/h3-14H,2H2,1H3
InChIKeyDOHNCCLYBBVHTF-UHFFFAOYSA-N
MW476.38 g/mol
LogP8.49
Rot. Bonds4

About 1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene

1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene (PubChem CID 158487114) has the molecular formula C24H17F9 and a molecular weight of 476.38 g/mol. Its IUPAC name is 1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
PubChem CID158487114
Molecular FormulaC24H17F9
Molecular Weight476.38 g/mol
Exact Mass476.12
IUPAC Name1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
SMILESCCC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H17F9/c1-2-21(15-6-3-9-18(12-15)22(25,26)27,16-7-4-10-19(13-16)23(28,29)30)17-8-5-11-20(14-17)24(31,32)33/h3-14H,2H2,1H3
InChIKeyDOHNCCLYBBVHTF-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.38
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

M-Terphenyl
CID 7076
Triphenylmethane
CID 10614
Trityl hexafluorophosphate
CID 2723954
Triphenylcarbenium tetrafluoroborate
CID 2723955
1,1,1-Triphenylethane
CID 78926
1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene
CID 80715
Quaterphenyl
CID 14422
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
CID 74681
1,3,5-Triphenylbenzene
CID 11930
2,4,6-Triphenyl-1-hexene
CID 177033
(E)-3,4',5-Tris(trifluoromethyl)stilbene
CID 10407651
1,3-bis(trifluoromethyl)-5-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11153316

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene (CID 158487114) is 1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene is CCC(c1cccc(C(F)(F)F)c1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene?
The InChIKey is DOHNCCLYBBVHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F9/c1-2-21(15-6-3-9-18(12-15)22(25,26)27,16-7-4-10-19(13-16)23(28,29)30)17-8-5-11-20(14-17)24(31,32)33/h3-14H,2H2,1H3.
What are the key properties of 1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene?
1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene has a molecular weight of 476.38 g/mol, XLogP of 8.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 158487114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).