1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene

C13H11F3 — CID 21221920

IUPAC1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CC2=CCC=C2)cc1
InChIInChI=1S/C13H11F3/c14-13(15,16)12-7-5-11(6-8-12)9-10-3-1-2-4-10/h1,3-8H,2,9H2
InChIKeyALXWKHCELOHPKS-UHFFFAOYSA-N
MW224.23 g/mol
LogP4.13
Rot. Bonds2

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

1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene (PubChem CID 21221920) has the molecular formula C13H11F3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene
PubChem CID21221920
Molecular FormulaC13H11F3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CC2=CCC=C2)cc1
InChIInChI=1S/C13H11F3/c14-13(15,16)12-7-5-11(6-8-12)9-10-3-1-2-4-10/h1,3-8H,2,9H2
InChIKeyALXWKHCELOHPKS-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene
CID 173472897
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
N,1-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 2173507
1-(2-chloroethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 63386669
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
bis[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 102517690
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
1-bromo-2-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 18412167
6-methylcyclohepta-1,4,6-triene-1-carbonitrile;3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 143209681
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
CID 160836362
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene (CID 21221920) is 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(CC2=CCC=C2)cc1.
What is the InChIKey of 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene?
The InChIKey is ALXWKHCELOHPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3/c14-13(15,16)12-7-5-11(6-8-12)9-10-3-1-2-4-10/h1,3-8H,2,9H2.
What are the key properties of 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene?
1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene has a molecular weight of 224.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 21221920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).