1-(difluoromethyl)cyclohexa-1,3-diene

C7H8F2 — CID 21258274

IUPAC1-(difluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)C1=CC=CCC1
InChIInChI=1S/C7H8F2/c8-7(9)6-4-2-1-3-5-6/h1-2,4,7H,3,5H2
InChIKeyFXAWAUVTOAYRQO-UHFFFAOYSA-N
MW130.14 g/mol
LogP2.53
Rot. Bonds1

About 1-(difluoromethyl)cyclohexa-1,3-diene

1-(difluoromethyl)cyclohexa-1,3-diene (PubChem CID 21258274) has the molecular formula C7H8F2 and a molecular weight of 130.14 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(difluoromethyl)cyclohexa-1,3-diene
PubChem CID21258274
Molecular FormulaC7H8F2
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name1-(difluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)C1=CC=CCC1
InChIInChI=1S/C7H8F2/c8-7(9)6-4-2-1-3-5-6/h1-2,4,7H,3,5H2
InChIKeyFXAWAUVTOAYRQO-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 1-(difluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1-(difluoromethyl)cyclohexa-1,3-diene (CID 21258274) is 1-(difluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(difluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(difluoromethyl)cyclohexa-1,3-diene is FC(F)C1=CC=CCC1.
What is the InChIKey of 1-(difluoromethyl)cyclohexa-1,3-diene?
The InChIKey is FXAWAUVTOAYRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2/c8-7(9)6-4-2-1-3-5-6/h1-2,4,7H,3,5H2.
What are the key properties of 1-(difluoromethyl)cyclohexa-1,3-diene?
1-(difluoromethyl)cyclohexa-1,3-diene has a molecular weight of 130.14 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 21258274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).