3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene

C11H17F — CID 123492675

IUPAC3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene
SMILESCCC1=C(C)C(CC)C(F)=C1C
InChIInChI=1S/C11H17F/c1-5-9-7(3)10(6-2)11(12)8(9)4/h10H,5-6H2,1-4H3
InChIKeyLNSBLDJIXZHAMK-UHFFFAOYSA-N
MW168.25 g/mol
LogP4.00
Rot. Bonds2

About 3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene

3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene (PubChem CID 123492675) has the molecular formula C11H17F and a molecular weight of 168.25 g/mol. Its IUPAC name is 3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene
PubChem CID123492675
Molecular FormulaC11H17F
Molecular Weight168.25 g/mol
Exact Mass168.13
IUPAC Name3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene
SMILESCCC1=C(C)C(CC)C(F)=C1C
InChIInChI=1S/C11H17F/c1-5-9-7(3)10(6-2)11(12)8(9)4/h10H,5-6H2,1-4H3
InChIKeyLNSBLDJIXZHAMK-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 54.00
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
Tetramethyl(N-propyl)cyclopentadiene
CID 45925711
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
1,3,5-Cycloheptatriene, 1,2,3,4,5,6,7-heptamethyl-
CID 11171498
[(1,2,3,4,5-Eta)-1,2,3,4,5-Pentamethylcyclopentadienyl]iridium(Iii)
CID 139033544
CID 134981418
CID 134981418
1,3-Cyclopentadiene, 1-ethyl-2,3,4,5-tetramethyl-
CID 12057845
(Trimethyl)pentamethylcyclopentadienyltitanium(IV), 97%
CID 56846032
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

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene?
The IUPAC name of 3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene (CID 123492675) is 3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene is CCC1=C(C)C(CC)C(F)=C1C.
What is the InChIKey of 3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene?
The InChIKey is LNSBLDJIXZHAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F/c1-5-9-7(3)10(6-2)11(12)8(9)4/h10H,5-6H2,1-4H3.
What are the key properties of 3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene?
3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene has a molecular weight of 168.25 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-fluoro-2,4-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 123492675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).