1,2,3-trifluorocyclohexa-1,3-diene

C6H5F3 — CID 19695671

IUPAC1,2,3-trifluorocyclohexa-1,3-diene
SMILESFC1=CCCC(F)=C1F
InChIInChI=1S/C6H5F3/c7-4-2-1-3-5(8)6(4)9/h2H,1,3H2
InChIKeyJPLDRLCOKFWHAW-UHFFFAOYSA-N
MW134.10 g/mol
LogP2.78
Rot. Bonds

About 1,2,3-trifluorocyclohexa-1,3-diene

1,2,3-trifluorocyclohexa-1,3-diene (PubChem CID 19695671) has the molecular formula C6H5F3 and a molecular weight of 134.10 g/mol. Its IUPAC name is 1,2,3-trifluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3-trifluorocyclohexa-1,3-diene
PubChem CID19695671
Molecular FormulaC6H5F3
Molecular Weight134.10 g/mol
Exact Mass134.03
IUPAC Name1,2,3-trifluorocyclohexa-1,3-diene
SMILESFC1=CCCC(F)=C1F
InChIInChI=1S/C6H5F3/c7-4-2-1-3-5(8)6(4)9/h2H,1,3H2
InChIKeyJPLDRLCOKFWHAW-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.10
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluorocyclohexa-1,3-diene?
The IUPAC name of 1,2,3-trifluorocyclohexa-1,3-diene (CID 19695671) is 1,2,3-trifluorocyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3-trifluorocyclohexa-1,3-diene?
The canonical SMILES for 1,2,3-trifluorocyclohexa-1,3-diene is FC1=CCCC(F)=C1F.
What is the InChIKey of 1,2,3-trifluorocyclohexa-1,3-diene?
The InChIKey is JPLDRLCOKFWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3/c7-4-2-1-3-5(8)6(4)9/h2H,1,3H2.
What are the key properties of 1,2,3-trifluorocyclohexa-1,3-diene?
1,2,3-trifluorocyclohexa-1,3-diene has a molecular weight of 134.10 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluorocyclohexa-1,3-diene is sourced from PubChem (CID 19695671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).