1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene

C8H9F — CID 143532130

IUPAC1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC2CC2(F)C=C1
InChIInChI=1S/C8H9F/c1-6-2-3-8(9)5-7(8)4-6/h2-4,7H,5H2,1H3
InChIKeyDIKCTVUYTWCTSP-UHFFFAOYSA-N
MW124.16 g/mol
LogP2.23
Rot. Bonds

About 1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene

1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143532130) has the molecular formula C8H9F and a molecular weight of 124.16 g/mol. Its IUPAC name is 1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene
PubChem CID143532130
Molecular FormulaC8H9F
Molecular Weight124.16 g/mol
Exact Mass124.07
IUPAC Name1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC2CC2(F)C=C1
InChIInChI=1S/C8H9F/c1-6-2-3-8(9)5-7(8)4-6/h2-4,7H,5H2,1H3
InChIKeyDIKCTVUYTWCTSP-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N,N,4-trimethylbicyclo[4.1.0]hepta-2,4-dien-1-amine
CID 176947266
1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1,2,4-triazole
CID 142207384
N-ethyl-2-methoxy-N-[(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]ethanamine
CID 144717930
6-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 174534272
6-tert-butyl-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 23160401
1,4-dimethylcyclohexa-3,5-diene-1,2-diamine
CID 53423794
1,4,6-trimethylcyclohexa-2,4-dien-1-amine
CID 68727939
3,6-dimethyl-6-sulfanylcyclohexa-2,4-dien-1-ol
CID 87698973
N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine
CID 142069182
(1S)-1-(3,6,6-trimethylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 140538313
5-ethyl-2,5,6-trimethylcyclohexa-1,3-diene
CID 173459336
6-(aminomethyl)-1,4-dimethylcyclohexa-2,4-dien-1-ol
CID 70419112

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene (CID 143532130) is 1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene is CC1=CC2CC2(F)C=C1.
What is the InChIKey of 1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is DIKCTVUYTWCTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F/c1-6-2-3-8(9)5-7(8)4-6/h2-4,7H,5H2,1H3.
What are the key properties of 1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene?
1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 124.16 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylbicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143532130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).