2-(trifluoromethyl)cyclohexa-1,3-diene

C7H7F3 — CID 21469205

IUPAC2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CCCC=C1
InChIInChI=1S/C7H7F3/c8-7(9,10)6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyYTJNYLZSYBOAGD-UHFFFAOYSA-N
MW148.13 g/mol
LogP2.83
Rot. Bonds

About 2-(trifluoromethyl)cyclohexa-1,3-diene

2-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 21469205) has the molecular formula C7H7F3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID21469205
Molecular FormulaC7H7F3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name2-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CCCC=C1
InChIInChI=1S/C7H7F3/c8-7(9,10)6-4-2-1-3-5-6/h2,4-5H,1,3H2
InChIKeyYTJNYLZSYBOAGD-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(trifluoromethyl)cyclohexa-1,3-diene (CID 21469205) is 2-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(trifluoromethyl)cyclohexa-1,3-diene is FC(F)(F)C1=CCCC=C1.
What is the InChIKey of 2-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is YTJNYLZSYBOAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3/c8-7(9,10)6-4-2-1-3-5-6/h2,4-5H,1,3H2.
What are the key properties of 2-(trifluoromethyl)cyclohexa-1,3-diene?
2-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 148.13 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 21469205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).