1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene

C8H6F4O — CID 163655268

IUPAC1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESC=C1C=CC(OC(F)(F)F)=C(F)C1
InChIInChI=1S/C8H6F4O/c1-5-2-3-7(6(9)4-5)13-8(10,11)12/h2-3H,1,4H2
InChIKeyIPRCZZBBHXJXIT-UHFFFAOYSA-N
MW194.13 g/mol
LogP3.22
Rot. Bonds1

About 1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene

1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene (PubChem CID 163655268) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is 1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene
PubChem CID163655268
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene
SMILESC=C1C=CC(OC(F)(F)F)=C(F)C1
InChIInChI=1S/C8H6F4O/c1-5-2-3-7(6(9)4-5)13-8(10,11)12/h2-3H,1,4H2
InChIKeyIPRCZZBBHXJXIT-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2,4,6-tris(trifluoromethyl)-2H-pyran
CID 3013867
Lithium 1-methoxy-3,5-bis(trifluoromethyl)benzene-6-ide
CID 135082765
1-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 17952051
2-(Difluoromethoxy)cyclohexa-1,3-diene
CID 18363256
2-(1,1,2,2-Tetrafluoroethoxy)cyclohexa-1,3-diene
CID 18427019
2-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 18614397
2-(1,2,2-Trifluoroethenoxy)cyclohexa-1,3-diene
CID 18990478
6-(1,1,2,2,3,3,3-heptafluoropropyl)-2H-pyran
CID 20427195
1-Methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)
CID 20579981
2-[Chloro(difluoro)methoxy]cyclohexa-1,3-diene
CID 21614802
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
Lithium 1-methoxy-4-(trifluoromethyl)benzene-5-ide
CID 57533427

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene (CID 163655268) is 1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene is C=C1C=CC(OC(F)(F)F)=C(F)C1.
What is the InChIKey of 1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene?
The InChIKey is IPRCZZBBHXJXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c1-5-2-3-7(6(9)4-5)13-8(10,11)12/h2-3H,1,4H2.
What are the key properties of 1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene?
1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 194.13 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methylidene-2-(trifluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 163655268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).