3,5-difluoro-2-methylcyclohepta-1,3,5-triene

C8H8F2 — CID 142115585

IUPAC3,5-difluoro-2-methylcyclohepta-1,3,5-triene
SMILESCC1=CCC=C(F)C=C1F
InChIInChI=1S/C8H8F2/c1-6-3-2-4-7(9)5-8(6)10/h3-5H,2H2,1H3
InChIKeyJUKWGMOARUPGQL-UHFFFAOYSA-N
MW142.15 g/mol
LogP3.04
Rot. Bonds

About 3,5-difluoro-2-methylcyclohepta-1,3,5-triene

3,5-difluoro-2-methylcyclohepta-1,3,5-triene (PubChem CID 142115585) has the molecular formula C8H8F2 and a molecular weight of 142.15 g/mol. Its IUPAC name is 3,5-difluoro-2-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3,5-difluoro-2-methylcyclohepta-1,3,5-triene
PubChem CID142115585
Molecular FormulaC8H8F2
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name3,5-difluoro-2-methylcyclohepta-1,3,5-triene
SMILESCC1=CCC=C(F)C=C1F
InChIInChI=1S/C8H8F2/c1-6-3-2-4-7(9)5-8(6)10/h3-5H,2H2,1H3
InChIKeyJUKWGMOARUPGQL-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 130195066
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CID 155337308
1-fluoro-4-(5-methylcyclopenta-1,4-dien-1-yl)benzene
CID 21261143
5-fluoro-4-methyl-1,2-dihydropyridine
CID 89141364
ethane;3-fluoro-1-methylcyclohexa-1,3-diene
CID 144598222
3-fluoro-1-methylcyclohepta-1,3-diene
CID 143151930
4-fluoro-2-methylcyclohexa-2,4-dien-1-amine
CID 147363508
3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene
CID 89277390
5-methylcyclopenta-1,4-diene-1-carbonitrile
CID 177195329
2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene
CID 123339390
3-fluoro-2,5-dimethyl-5-propan-2-ylcyclohexa-1,3-diene
CID 130179158
5-tert-butyl-3-ethyl-2-methylcyclohepta-1,3,5-triene
CID 91336827

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-methylcyclohepta-1,3,5-triene?
The IUPAC name of 3,5-difluoro-2-methylcyclohepta-1,3,5-triene (CID 142115585) is 3,5-difluoro-2-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 3,5-difluoro-2-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 3,5-difluoro-2-methylcyclohepta-1,3,5-triene is CC1=CCC=C(F)C=C1F.
What is the InChIKey of 3,5-difluoro-2-methylcyclohepta-1,3,5-triene?
The InChIKey is JUKWGMOARUPGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2/c1-6-3-2-4-7(9)5-8(6)10/h3-5H,2H2,1H3.
What are the key properties of 3,5-difluoro-2-methylcyclohepta-1,3,5-triene?
3,5-difluoro-2-methylcyclohepta-1,3,5-triene has a molecular weight of 142.15 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 142115585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).