(5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene

C7H9F — CID 163495167

IUPAC(5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene
SMILESCC1=CC=C(F)[C@H]1C
InChIInChI=1S/C7H9F/c1-5-3-4-7(8)6(5)2/h3-4,6H,1-2H3/t6-/m0/s1
InChIKeyCQBKBEYZUHZJDG-LURJTMIESA-N
MW112.15 g/mol
LogP2.44
Rot. Bonds

About (5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene

(5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene (PubChem CID 163495167) has the molecular formula C7H9F and a molecular weight of 112.15 g/mol. Its IUPAC name is (5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name(5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene
PubChem CID163495167
Molecular FormulaC7H9F
Molecular Weight112.15 g/mol
Exact Mass112.07
IUPAC Name(5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene
SMILESCC1=CC=C(F)[C@H]1C
InChIInChI=1S/C7H9F/c1-5-3-4-7(8)6(5)2/h3-4,6H,1-2H3/t6-/m0/s1
InChIKeyCQBKBEYZUHZJDG-LURJTMIESA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3,4,7-tetramethyl-3H-azepine
CID 147408067
1,6,7-trimethylcyclohepta-1,3,5-triene
CID 123961293
1,4,5,8-tetramethyl-4a,8a-dihydronaphthalene
CID 123483925
(6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene
CID 89121593
(6S)-1,4,5,6-tetrafluorocyclohexa-1,3-diene
CID 155000957
1,6-dimethyl-5-methylidenecyclohexa-1,3-diene
CID 141384688
1,2-dimethyl-1H-carbazole
CID 173095899
ethane;1-fluoro-5,7-dimethylcyclohepta-1,3,5-triene
CID 142113281
1,5-difluoro-5,6-dimethyl-4-nitrocyclohexa-1,3-diene
CID 163941629
5,7,8-trimethylbicyclo[4.1.1]octa-2,4-dien-2-amine
CID 89088056
difluorozirconium;1,5-dimethylcyclopenta-1,3-diene
CID 174427609
2,3-difluoro-5,6-dimethylcyclohexa-1,3-diene
CID 154525018

Frequently Asked Questions

What is the IUPAC name of (5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene?
The IUPAC name of (5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene (CID 163495167) is (5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for (5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene?
The canonical SMILES for (5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene is CC1=CC=C(F)[C@H]1C.
What is the InChIKey of (5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene?
The InChIKey is CQBKBEYZUHZJDG-LURJTMIESA-N. The full InChI is InChI=1S/C7H9F/c1-5-3-4-7(8)6(5)2/h3-4,6H,1-2H3/t6-/m0/s1.
What are the key properties of (5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene?
(5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene has a molecular weight of 112.15 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-fluoro-4,5-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 163495167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).