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

C7H7F3 — CID 18670010

IUPAC1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CC=CCC1
InChIInChI=1S/C7H7F3/c8-7(9,10)6-4-2-1-3-5-6/h1-2,4H,3,5H2
InChIKeyGFRTUKRABHMLDS-UHFFFAOYSA-N
MW148.13 g/mol
LogP2.83
Rot. Bonds

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

1-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 18670010) has the molecular formula C7H7F3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID18670010
Molecular FormulaC7H7F3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESFC(F)(F)C1=CC=CCC1
InChIInChI=1S/C7H7F3/c8-7(9,10)6-4-2-1-3-5-6/h1-2,4H,3,5H2
InChIKeyGFRTUKRABHMLDS-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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Related Compounds

Cyclobutene, 1-ethenyl-2,3,3-trifluoro-
CID 640496
5,5,6,6-Tetrafluoro-1,3-cyclohexadiene
CID 12676459
1-(Trifluoromethyl)cyclopenta-1,3-diene
CID 21188888
Lithium, [3-(trifluoromethyl)phenyl]-
CID 10909751
(4-(Trifluoromethyl)phenyl)magnesium bromide
CID 11010353
Lithium, [4-(trifluoromethyl)phenyl]-
CID 11051849
(2-(Trifluoromethyl)phenyl)magnesium bromide, 0.50 M in THF
CID 11368679
Magnesium;trifluoromethylbenzene;bromide
CID 11747026
Lithium 2-(trifluoromethyl)benzen-1-ide
CID 12434981
3-(Trifluoromethyl)phenylmagnesium chloride
CID 13974373
Chlorozinc(1+);trifluoromethylbenzene
CID 14435811
Iodozinc(1+);trifluoromethylbenzene
CID 14980131

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 1-(trifluoromethyl)cyclohexa-1,3-diene (CID 18670010) is 1-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(trifluoromethyl)cyclohexa-1,3-diene is FC(F)(F)C1=CC=CCC1.
What is the InChIKey of 1-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is GFRTUKRABHMLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3/c8-7(9,10)6-4-2-1-3-5-6/h1-2,4H,3,5H2.
What are the key properties of 1-(trifluoromethyl)cyclohexa-1,3-diene?
1-(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 1-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 18670010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).