1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene

C14H10F6 — CID 21221912

IUPAC1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CC2=CC=CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F6/c15-13(16,17)11-6-5-10(7-9-3-1-2-4-9)12(8-11)14(18,19)20/h1-3,5-6,8H,4,7H2
InChIKeyACIXEOXPIFSCJZ-UHFFFAOYSA-N
MW292.22 g/mol
LogP5.15
Rot. Bonds2

About 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene

1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene (PubChem CID 21221912) has the molecular formula C14H10F6 and a molecular weight of 292.22 g/mol. Its IUPAC name is 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene
PubChem CID21221912
Molecular FormulaC14H10F6
Molecular Weight292.22 g/mol
Exact Mass292.07
IUPAC Name1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CC2=CC=CC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F6/c15-13(16,17)11-6-5-10(7-9-3-1-2-4-9)12(8-11)14(18,19)20/h1-3,5-6,8H,4,7H2
InChIKeyACIXEOXPIFSCJZ-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.22
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine
CID 133080561
1,4-bis(cyclopenta-1,3-dien-1-ylmethyl)-2,5-difluorobenzene
CID 21332298
1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene
CID 143655992
1-(ethoxymethyl)-2,4-bis(trifluoromethyl)benzene
CID 90702752
[2,4-bis(trifluoromethyl)phenyl]methanesulfonyl chloride
CID 87086409
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-4-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 134277840
2-(1,1-difluoroethyl)-1-(iodomethyl)-4-(trifluoromethyl)benzene
CID 89493278
4-tert-butyl-1-(3,3-dimethylbutyl)-2-(trifluoromethyl)benzene
CID 168747742
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
CID 170869353
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171210217
2-fluoro-1-pentan-3-yl-4-(trifluoromethyl)benzene
CID 162605330

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene (CID 21221912) is 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene is FC(F)(F)c1ccc(CC2=CC=CC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene?
The InChIKey is ACIXEOXPIFSCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6/c15-13(16,17)11-6-5-10(7-9-3-1-2-4-9)12(8-11)14(18,19)20/h1-3,5-6,8H,4,7H2.
What are the key properties of 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene?
1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene has a molecular weight of 292.22 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-1,3-dien-1-ylmethyl)-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 21221912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).