3,5-difluoro-1-methylcyclohexa-1,3-diene

C7H8F2 — CID 66635422

IUPAC3,5-difluoro-1-methylcyclohexa-1,3-diene
SMILESCC1=CC(F)=CC(F)C1
InChIInChI=1S/C7H8F2/c1-5-2-6(8)4-7(9)3-5/h2,4,7H,3H2,1H3
InChIKeyAUNNDYPLNALWMC-UHFFFAOYSA-N
MW130.14 g/mol
LogP2.53
Rot. Bonds

About 3,5-difluoro-1-methylcyclohexa-1,3-diene

3,5-difluoro-1-methylcyclohexa-1,3-diene (PubChem CID 66635422) has the molecular formula C7H8F2 and a molecular weight of 130.14 g/mol. Its IUPAC name is 3,5-difluoro-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3,5-difluoro-1-methylcyclohexa-1,3-diene
PubChem CID66635422
Molecular FormulaC7H8F2
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name3,5-difluoro-1-methylcyclohexa-1,3-diene
SMILESCC1=CC(F)=CC(F)C1
InChIInChI=1S/C7H8F2/c1-5-2-6(8)4-7(9)3-5/h2,4,7H,3H2,1H3
InChIKeyAUNNDYPLNALWMC-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-methylcyclohexa-1,3-diene?
The IUPAC name of 3,5-difluoro-1-methylcyclohexa-1,3-diene (CID 66635422) is 3,5-difluoro-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 3,5-difluoro-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 3,5-difluoro-1-methylcyclohexa-1,3-diene is CC1=CC(F)=CC(F)C1.
What is the InChIKey of 3,5-difluoro-1-methylcyclohexa-1,3-diene?
The InChIKey is AUNNDYPLNALWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2/c1-5-2-6(8)4-7(9)3-5/h2,4,7H,3H2,1H3.
What are the key properties of 3,5-difluoro-1-methylcyclohexa-1,3-diene?
3,5-difluoro-1-methylcyclohexa-1,3-diene has a molecular weight of 130.14 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 66635422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).