1,3,5,6-tetrakis(trifluoromethyl)cyclohexene

C10H6F12 — CID 550520

IUPAC1,3,5,6-tetrakis(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1=CC(C(F)(F)F)CC(C(F)(F)F)C1C(F)(F)F
InChIInChI=1S/C10H6F12/c11-7(12,13)3-1-4(8(14,15)16)6(10(20,21)22)5(2-3)9(17,18)19/h1,3,5-6H,2H2
InChIKeyPPOHBYZVZWMJMJ-UHFFFAOYSA-N
MW354.13 g/mol
LogP5.41
Rot. Bonds

About 1,3,5,6-tetrakis(trifluoromethyl)cyclohexene

1,3,5,6-tetrakis(trifluoromethyl)cyclohexene (PubChem CID 550520) has the molecular formula C10H6F12 and a molecular weight of 354.13 g/mol. Its IUPAC name is 1,3,5,6-tetrakis(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name1,3,5,6-tetrakis(trifluoromethyl)cyclohexene
PubChem CID550520
Molecular FormulaC10H6F12
Molecular Weight354.13 g/mol
Exact Mass354.03
IUPAC Name1,3,5,6-tetrakis(trifluoromethyl)cyclohexene
SMILESFC(F)(F)C1=CC(C(F)(F)F)CC(C(F)(F)F)C1C(F)(F)F
InChIInChI=1S/C10H6F12/c11-7(12,13)3-1-4(8(14,15)16)6(10(20,21)22)5(2-3)9(17,18)19/h1,3,5-6H,2H2
InChIKeyPPOHBYZVZWMJMJ-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.13
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
1,3,3,4,5,6-Hexabis(trifluoromethyl)cyclohex-1-ene
CID 550605
1,4,7,7,8,8-Hexafluoro-2-methylbicyclo[2.2.2]octa-2,5-diene
CID 581902
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
11,12-Bis(trifluoromethyl)bicyclo[8.2.2]tetradeca-11,13-diene
CID 12453823
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)cyclohex-1-ene
CID 129319154
2,6-Bis(trifluoromethyl)bicyclo[3.3.1]nona-2,6-diene
CID 132648343
3-(3,3,3-Trifluoroprop-1-en-2-yl)cyclohexene
CID 14295660

Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetrakis(trifluoromethyl)cyclohexene?
The IUPAC name of 1,3,5,6-tetrakis(trifluoromethyl)cyclohexene (CID 550520) is 1,3,5,6-tetrakis(trifluoromethyl)cyclohexene.
What is the SMILES notation for 1,3,5,6-tetrakis(trifluoromethyl)cyclohexene?
The canonical SMILES for 1,3,5,6-tetrakis(trifluoromethyl)cyclohexene is FC(F)(F)C1=CC(C(F)(F)F)CC(C(F)(F)F)C1C(F)(F)F.
What is the InChIKey of 1,3,5,6-tetrakis(trifluoromethyl)cyclohexene?
The InChIKey is PPOHBYZVZWMJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12/c11-7(12,13)3-1-4(8(14,15)16)6(10(20,21)22)5(2-3)9(17,18)19/h1,3,5-6H,2H2.
What are the key properties of 1,3,5,6-tetrakis(trifluoromethyl)cyclohexene?
1,3,5,6-tetrakis(trifluoromethyl)cyclohexene has a molecular weight of 354.13 g/mol, XLogP of 5.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetrakis(trifluoromethyl)cyclohexene is sourced from PubChem (CID 550520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).