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

C10HF15 — CID 12609525

IUPAC1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C10HF15/c11-6(12,13)1-2(7(14,15)16)4(9(20,21)22)5(10(23,24)25)3(1)8(17,18)19/h1H
InChIKeyJUXHETNKWVWTBW-UHFFFAOYSA-N
MW406.09 g/mol
LogP6.02
Rot. Bonds

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

1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene (PubChem CID 12609525) has the molecular formula C10HF15 and a molecular weight of 406.09 g/mol. Its IUPAC name is 1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene
PubChem CID12609525
Molecular FormulaC10HF15
Molecular Weight406.09 g/mol
Exact Mass405.98
IUPAC Name1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene
SMILESFC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F
InChIInChI=1S/C10HF15/c11-6(12,13)1-2(7(14,15)16)4(9(20,21)22)5(10(23,24)25)3(1)8(17,18)19/h1H
InChIKeyJUXHETNKWVWTBW-UHFFFAOYSA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.09
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene?
The IUPAC name of 1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene (CID 12609525) is 1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene?
The canonical SMILES for 1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene is FC(F)(F)C1=C(C(F)(F)F)C(C(F)(F)F)C(C(F)(F)F)=C1C(F)(F)F.
What is the InChIKey of 1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene?
The InChIKey is JUXHETNKWVWTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF15/c11-6(12,13)1-2(7(14,15)16)4(9(20,21)22)5(10(23,24)25)3(1)8(17,18)19/h1H.
What are the key properties of 1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene?
1,2,3,4,5-pentakis(trifluoromethyl)cyclopenta-1,3-diene has a molecular weight of 406.09 g/mol, XLogP of 6.02, 0 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(trifluoromethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 12609525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).