1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene

C15H11F15 — CID 20813473

IUPAC1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)CC1=C(CC(F)(F)F)C(CC(F)(F)F)C(CC(F)(F)F)=C1CC(F)(F)F
InChIInChI=1S/C15H11F15/c16-11(17,18)1-6-7(2-12(19,20)21)9(4-14(25,26)27)10(5-15(28,29)30)8(6)3-13(22,23)24/h6H,1-5H2
InChIKeySMQLCNXJSONTIL-UHFFFAOYSA-N
MW476.22 g/mol
LogP7.97
Rot. Bonds5

About 1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene

1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene (PubChem CID 20813473) has the molecular formula C15H11F15 and a molecular weight of 476.22 g/mol. Its IUPAC name is 1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene
PubChem CID20813473
Molecular FormulaC15H11F15
Molecular Weight476.22 g/mol
Exact Mass476.06
IUPAC Name1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)CC1=C(CC(F)(F)F)C(CC(F)(F)F)C(CC(F)(F)F)=C1CC(F)(F)F
InChIInChI=1S/C15H11F15/c16-11(17,18)1-6-7(2-12(19,20)21)9(4-14(25,26)27)10(5-15(28,29)30)8(6)3-13(22,23)24/h6H,1-5H2
InChIKeySMQLCNXJSONTIL-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.22
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-Tetramethyl-5-(trifluoromethyl)cyclopenta-1,3-diene
CID 12975919
1,2,3,5-Tetramethyl-4-(trifluoromethyl)cyclopenta-1,3-diene
CID 15553024
[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclopentane
CID 10655625
1,4,5,5-Tetrafluoro-2-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-3,3-bis(trifluoromethyl)cyclopentene
CID 134933417
1,2,3,4,5-Pentakis(trifluoromethyl)-1,3-cyclopentadiene
CID 12609525
1,2,4,5-Tetramethyl-3-(trifluoromethyl)cyclopenta-1,3-diene
CID 15823305
2,5-Bis(trifluoromethyl)-1,3,4-trimethylcyclopenta-1,3-diene
CID 19796812
1,2,5-Trimethyl-3,4-bis(trifluoromethyl)cyclopenta-1,3-diene
CID 19796816
2,3-Dimethyl-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 71406257
5,6-Dimethyl-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-1,3-diene
CID 88712041
(2E,4E)-5-ethyl-1,3-difluoro-2,4,7-trimethylnona-2,4-diene
CID 89247413
1-Ethyl-2,3,6-trifluoro-4,5-dimethylcyclohexa-1,3-diene
CID 89330622

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene (CID 20813473) is 1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene is FC(F)(F)CC1=C(CC(F)(F)F)C(CC(F)(F)F)C(CC(F)(F)F)=C1CC(F)(F)F.
What is the InChIKey of 1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene?
The InChIKey is SMQLCNXJSONTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F15/c16-11(17,18)1-6-7(2-12(19,20)21)9(4-14(25,26)27)10(5-15(28,29)30)8(6)3-13(22,23)24/h6H,1-5H2.
What are the key properties of 1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene?
1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene has a molecular weight of 476.22 g/mol, XLogP of 7.97, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentakis(2,2,2-trifluoroethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 20813473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).