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

C7H8F2 — CID 141203144

IUPAC5-(difluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)C1C=CC=CC1
InChIInChI=1S/C7H8F2/c8-7(9)6-4-2-1-3-5-6/h1-4,6-7H,5H2
InChIKeyNINCOALCZZDKIJ-UHFFFAOYSA-N
MW130.14 g/mol
LogP2.38
Rot. Bonds1

About 5-(difluoromethyl)cyclohexa-1,3-diene

5-(difluoromethyl)cyclohexa-1,3-diene (PubChem CID 141203144) has the molecular formula C7H8F2 and a molecular weight of 130.14 g/mol. Its IUPAC name is 5-(difluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(difluoromethyl)cyclohexa-1,3-diene
PubChem CID141203144
Molecular FormulaC7H8F2
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name5-(difluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)C1C=CC=CC1
InChIInChI=1S/C7H8F2/c8-7(9)6-4-2-1-3-5-6/h1-4,6-7H,5H2
InChIKeyNINCOALCZZDKIJ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-(difluoromethyl)cyclohexa-1,3-diene (CID 141203144) is 5-(difluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(difluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-(difluoromethyl)cyclohexa-1,3-diene is FC(F)C1C=CC=CC1.
What is the InChIKey of 5-(difluoromethyl)cyclohexa-1,3-diene?
The InChIKey is NINCOALCZZDKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2/c8-7(9)6-4-2-1-3-5-6/h1-4,6-7H,5H2.
What are the key properties of 5-(difluoromethyl)cyclohexa-1,3-diene?
5-(difluoromethyl)cyclohexa-1,3-diene has a molecular weight of 130.14 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 141203144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).