3-fluoro-1-methylcyclohepta-1,3-diene

C8H11F — CID 143151930

IUPAC3-fluoro-1-methylcyclohepta-1,3-diene
SMILESCC1=CC(F)=CCCC1
InChIInChI=1S/C8H11F/c1-7-4-2-3-5-8(9)6-7/h5-6H,2-4H2,1H3
InChIKeyBWNBQCFWRLQYCU-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.97
Rot. Bonds

About 3-fluoro-1-methylcyclohepta-1,3-diene

3-fluoro-1-methylcyclohepta-1,3-diene (PubChem CID 143151930) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is 3-fluoro-1-methylcyclohepta-1,3-diene.

Molecular Properties

Compound Name3-fluoro-1-methylcyclohepta-1,3-diene
PubChem CID143151930
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name3-fluoro-1-methylcyclohepta-1,3-diene
SMILESCC1=CC(F)=CCCC1
InChIInChI=1S/C8H11F/c1-7-4-2-3-5-8(9)6-7/h5-6H,2-4H2,1H3
InChIKeyBWNBQCFWRLQYCU-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;3-fluoro-1-methylcyclohexa-1,3-diene
CID 144598222
3-bromo-1-methylcyclohepta-1,3-diene
CID 163730925
1-methylcyclohexene;hydrofluoride
CID 157219805
acetylene;1-methylcyclohexene
CID 145280126
carbanide;(1Z)-1-methylcyclooctene;platinum(2+)
CID 170661208
1-methylcyclobutene;sulfane
CID 90109296
ethane;1-methylcyclobutene
CID 91484029
(5E)-5-methylcyclodec-5-en-1-one
CID 91999236
(1E,3E,6E)-1,3-difluoro-7-methylcycloocta-1,3,6-triene
CID 130195066
(3-fluorocyclohexa-1,3-dien-1-yl)methanamine
CID 129171320
3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol
CID 142829523
1-methyl-3-methylidenecyclooctene
CID 123505794

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylcyclohepta-1,3-diene?
The IUPAC name of 3-fluoro-1-methylcyclohepta-1,3-diene (CID 143151930) is 3-fluoro-1-methylcyclohepta-1,3-diene.
What is the SMILES notation for 3-fluoro-1-methylcyclohepta-1,3-diene?
The canonical SMILES for 3-fluoro-1-methylcyclohepta-1,3-diene is CC1=CC(F)=CCCC1.
What is the InChIKey of 3-fluoro-1-methylcyclohepta-1,3-diene?
The InChIKey is BWNBQCFWRLQYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F/c1-7-4-2-3-5-8(9)6-7/h5-6H,2-4H2,1H3.
What are the key properties of 3-fluoro-1-methylcyclohepta-1,3-diene?
3-fluoro-1-methylcyclohepta-1,3-diene has a molecular weight of 126.17 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylcyclohepta-1,3-diene is sourced from PubChem (CID 143151930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).