1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene

C20H12F6 — CID 87195760

IUPAC1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(=C2C=CC=C2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H12F6/c21-19(22,23)16-9-5-14(6-10-16)18(13-3-1-2-4-13)15-7-11-17(12-8-15)20(24,25)26/h1-12H
InChIKeyZGAIDBZLLBTRSJ-UHFFFAOYSA-N
MW366.30 g/mol
LogP6.65
Rot. Bonds2

About 1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene

1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene (PubChem CID 87195760) has the molecular formula C20H12F6 and a molecular weight of 366.30 g/mol. Its IUPAC name is 1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
PubChem CID87195760
Molecular FormulaC20H12F6
Molecular Weight366.30 g/mol
Exact Mass366.08
IUPAC Name1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(=C2C=CC=C2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H12F6/c21-19(22,23)16-9-5-14(6-10-16)18(13-3-1-2-4-13)15-7-11-17(12-8-15)20(24,25)26/h1-12H
InChIKeyZGAIDBZLLBTRSJ-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.30
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
CID 154390518
CID 154390518
1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 87996526
CID 101352816
CID 101352816
4-(trifluoromethyl)(18F)phenol
CID 71660610
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 139245860
(NZ)-N-[2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethylidene]hydroxylamine
CID 19995449
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene
CID 175317835
N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide
CID 178072195
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene (CID 87195760) is 1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C(=C2C=CC=C2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene?
The InChIKey is ZGAIDBZLLBTRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6/c21-19(22,23)16-9-5-14(6-10-16)18(13-3-1-2-4-13)15-7-11-17(12-8-15)20(24,25)26/h1-12H.
What are the key properties of 1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene?
1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene has a molecular weight of 366.30 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 87195760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).