1,7-difluoro-2-methylcyclohepta-1,3-diene

C8H10F2 — CID 126490285

IUPAC1,7-difluoro-2-methylcyclohepta-1,3-diene
SMILESCC1=C(F)C(F)CCC=C1
InChIInChI=1S/C8H10F2/c1-6-4-2-3-5-7(9)8(6)10/h2,4,7H,3,5H2,1H3
InChIKeyIIPOFONRBUKYOO-UHFFFAOYSA-N
MW144.16 g/mol
LogP2.92
Rot. Bonds

About 1,7-difluoro-2-methylcyclohepta-1,3-diene

1,7-difluoro-2-methylcyclohepta-1,3-diene (PubChem CID 126490285) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is 1,7-difluoro-2-methylcyclohepta-1,3-diene.

Molecular Properties

Compound Name1,7-difluoro-2-methylcyclohepta-1,3-diene
PubChem CID126490285
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name1,7-difluoro-2-methylcyclohepta-1,3-diene
SMILESCC1=C(F)C(F)CCC=C1
InChIInChI=1S/C8H10F2/c1-6-4-2-3-5-7(9)8(6)10/h2,4,7H,3,5H2,1H3
InChIKeyIIPOFONRBUKYOO-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 66828021
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1,6-difluoro-2-methyl-5-propan-2-ylcyclohexa-1,3-diene
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6-propan-2-ylcyclohex-2-en-1-one
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6-[(2S)-butan-2-yl]cyclohex-2-en-1-one
CID 118141061
1-fluoro-4-(2-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-diene
CID 155582400
7-ethyl-2-methyl-1-(2-methylbutan-2-yl)cycloocta-1,3-diene
CID 91028432
(6-methylcyclohex-2-en-1-ylidene)zirconium(2+)
CID 161007321
2-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 121446234
6-(4-methylphenyl)sulfanylcyclohex-2-en-1-one
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Frequently Asked Questions

What is the IUPAC name of 1,7-difluoro-2-methylcyclohepta-1,3-diene?
The IUPAC name of 1,7-difluoro-2-methylcyclohepta-1,3-diene (CID 126490285) is 1,7-difluoro-2-methylcyclohepta-1,3-diene.
What is the SMILES notation for 1,7-difluoro-2-methylcyclohepta-1,3-diene?
The canonical SMILES for 1,7-difluoro-2-methylcyclohepta-1,3-diene is CC1=C(F)C(F)CCC=C1.
What is the InChIKey of 1,7-difluoro-2-methylcyclohepta-1,3-diene?
The InChIKey is IIPOFONRBUKYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2/c1-6-4-2-3-5-7(9)8(6)10/h2,4,7H,3,5H2,1H3.
What are the key properties of 1,7-difluoro-2-methylcyclohepta-1,3-diene?
1,7-difluoro-2-methylcyclohepta-1,3-diene has a molecular weight of 144.16 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-difluoro-2-methylcyclohepta-1,3-diene is sourced from PubChem (CID 126490285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).