3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene

C10H15F — CID 123631438

IUPAC3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene
SMILESCCC1=C(C)C(C)C(F)=C1C
InChIInChI=1S/C10H15F/c1-5-9-6(2)7(3)10(11)8(9)4/h7H,5H2,1-4H3
InChIKeyUJGNUOFLRPHYKQ-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.61
Rot. Bonds1

About 3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene

3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene (PubChem CID 123631438) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene
PubChem CID123631438
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene
SMILESCCC1=C(C)C(C)C(F)=C1C
InChIInChI=1S/C10H15F/c1-5-9-6(2)7(3)10(11)8(9)4/h7H,5H2,1-4H3
InChIKeyUJGNUOFLRPHYKQ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5-Pentamethylcyclopentadiene
CID 77667
Ethyltetramethylcyclopentadiene
CID 585272
1,2,3,4-Tetramethylcyclopentadiene
CID 138163
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
1,2,4-Trimethyl-3-(~2~H_3_)methylcyclopenta-1,3-diene
CID 71309507
Tetramethyltrifluoro-methylcyclopentadiene
CID 129816287
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
(3E)-2,3,5-trifluoro-4-propan-2-ylhexa-1,3,5-triene
CID 88539062
1,2,4,5-Tetramethyl-3-(1,1,2,2,2-pentafluoroethyl)cyclopenta-1,3-diene
CID 91437573

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene?
The IUPAC name of 3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene (CID 123631438) is 3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for 3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene?
The canonical SMILES for 3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene is CCC1=C(C)C(C)C(F)=C1C.
What is the InChIKey of 3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene?
The InChIKey is UJGNUOFLRPHYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-5-9-6(2)7(3)10(11)8(9)4/h7H,5H2,1-4H3.
What are the key properties of 3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene?
3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene has a molecular weight of 154.23 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-fluoro-2,4,5-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 123631438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).