5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene

C10H15F — CID 22136450

IUPAC5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene
SMILESCCC1C=CC(F)=CC1(C)C
InChIInChI=1S/C10H15F/c1-4-8-5-6-9(11)7-10(8,2)3/h5-8H,4H2,1-3H3
InChIKeyDOJAGYBXKPELRE-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.46
Rot. Bonds1

About 5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene

5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene (PubChem CID 22136450) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene
PubChem CID22136450
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene
SMILESCCC1C=CC(F)=CC1(C)C
InChIInChI=1S/C10H15F/c1-4-8-5-6-9(11)7-10(8,2)3/h5-8H,4H2,1-3H3
InChIKeyDOJAGYBXKPELRE-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-
CID 10581
Striatene
CID 91750200
2Z,4E-alpha-ionylideneethane
CID 101760128
(5R,6S)-1,5,6-trimethyl-6-[(2Z)-3-methylpenta-2,4-dienyl]cyclohexene
CID 44254447
5-(1-Methylethyl)-1,3-cyclohexadiene
CID 10749168
(3R,4S)-3-ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene
CID 53310786
3-Ethenyl-3-methyl-6-propan-2-ylidene-4-prop-1-en-2-ylcyclohexene
CID 76006796
1,3-Cyclohexadiene, 5-(1,1-dimethylethyl)-
CID 556263
2,6-Di-t-butylcyclohexa-diene
CID 13800977
5-Ethyl-5-methyl-1,3-cyclohexadiene
CID 12714122
2-Ethyl-1,2-Dimethylbenzol
CID 23311940
Cara-2,4-diene
CID 86128380

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene (CID 22136450) is 5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene is CCC1C=CC(F)=CC1(C)C.
What is the InChIKey of 5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene?
The InChIKey is DOJAGYBXKPELRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-4-8-5-6-9(11)7-10(8,2)3/h5-8H,4H2,1-3H3.
What are the key properties of 5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene?
5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene has a molecular weight of 154.23 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-fluoro-6,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 22136450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).