5-methylidene-1,3-bis(trifluoromethyl)cyclohexene

C9H7F6- — CID 90772961

IUPAC5-methylidene-1,3-bis(trifluoromethyl)cyclohexene
SMILESC=C1[CH-]C(C(F)(F)F)=CC(C(F)(F)F)C1
InChIInChI=1S/C9H7F6/c1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15/h2,4,7H,1,3H2/q-1
InChIKeyIMLISWSYAOXKQI-UHFFFAOYSA-N
MW229.14 g/mol
LogP3.82
Rot. Bonds

About 5-methylidene-1,3-bis(trifluoromethyl)cyclohexene

5-methylidene-1,3-bis(trifluoromethyl)cyclohexene (PubChem CID 90772961) has the molecular formula C9H7F6- and a molecular weight of 229.14 g/mol. Its IUPAC name is 5-methylidene-1,3-bis(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name5-methylidene-1,3-bis(trifluoromethyl)cyclohexene
PubChem CID90772961
Molecular FormulaC9H7F6-
Molecular Weight229.14 g/mol
Exact Mass229.05
IUPAC Name5-methylidene-1,3-bis(trifluoromethyl)cyclohexene
SMILESC=C1[CH-]C(C(F)(F)F)=CC(C(F)(F)F)C1
InChIInChI=1S/C9H7F6/c1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15/h2,4,7H,1,3H2/q-1
InChIKeyIMLISWSYAOXKQI-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2,3-Bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 594623
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
Decafluoro-alpha-methylstyrene
CID 129878302
8,9-Bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene
CID 134964338
1,3,5,6-Tetrakis(trifluoromethyl)cyclohex-1-ene
CID 550520
1,3,3,4,5,6-Hexabis(trifluoromethyl)cyclohex-1-ene
CID 550605
1,2,7,7,8,8-Hexafluoro-5-(trifluoromethyl)bicyclo[2.2.2]octa-2,5-diene
CID 602796
(1R,4S)-2,3-bis(trifluoromethyl)bicyclo[2.2.1]hepta-2,5-diene
CID 10489505
1,3,3,4,4,5,5-Heptafluoro-2,6-bis(trifluoromethyl)cyclohexene
CID 11336861
11,12-Bis(trifluoromethyl)bicyclo[8.2.2]tetradeca-11,13-diene
CID 12453823
1-Methyl-3,3-bis(trifluoromethyl)cyclohexene
CID 84820758
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)cyclohex-1-ene
CID 129319154

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,3-bis(trifluoromethyl)cyclohexene?
The IUPAC name of 5-methylidene-1,3-bis(trifluoromethyl)cyclohexene (CID 90772961) is 5-methylidene-1,3-bis(trifluoromethyl)cyclohexene.
What is the SMILES notation for 5-methylidene-1,3-bis(trifluoromethyl)cyclohexene?
The canonical SMILES for 5-methylidene-1,3-bis(trifluoromethyl)cyclohexene is C=C1[CH-]C(C(F)(F)F)=CC(C(F)(F)F)C1.
What is the InChIKey of 5-methylidene-1,3-bis(trifluoromethyl)cyclohexene?
The InChIKey is IMLISWSYAOXKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6/c1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15/h2,4,7H,1,3H2/q-1.
What are the key properties of 5-methylidene-1,3-bis(trifluoromethyl)cyclohexene?
5-methylidene-1,3-bis(trifluoromethyl)cyclohexene has a molecular weight of 229.14 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,3-bis(trifluoromethyl)cyclohexene is sourced from PubChem (CID 90772961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).