1,1,4,4-tetrakis(trifluoromethyl)cyclohexane

C10H8F12 — CID 15656325

IUPAC1,1,4,4-tetrakis(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1(C(F)(F)F)CCC(C(F)(F)F)(C(F)(F)F)CC1
InChIInChI=1S/C10H8F12/c11-7(12,13)5(8(14,15)16)1-2-6(4-3-5,9(17,18)19)10(20,21)22/h1-4H2
InChIKeyJPVJXZOVXVEUML-UHFFFAOYSA-N
MW356.15 g/mol
LogP5.78
Rot. Bonds

About 1,1,4,4-tetrakis(trifluoromethyl)cyclohexane

1,1,4,4-tetrakis(trifluoromethyl)cyclohexane (PubChem CID 15656325) has the molecular formula C10H8F12 and a molecular weight of 356.15 g/mol. Its IUPAC name is 1,1,4,4-tetrakis(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,1,4,4-tetrakis(trifluoromethyl)cyclohexane
PubChem CID15656325
Molecular FormulaC10H8F12
Molecular Weight356.15 g/mol
Exact Mass356.04
IUPAC Name1,1,4,4-tetrakis(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1(C(F)(F)F)CCC(C(F)(F)F)(C(F)(F)F)CC1
InChIInChI=1S/C10H8F12/c11-7(12,13)5(8(14,15)16)1-2-6(4-3-5,9(17,18)19)10(20,21)22/h1-4H2
InChIKeyJPVJXZOVXVEUML-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.15
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetrakis(trifluoromethyl)cyclohexane?
The IUPAC name of 1,1,4,4-tetrakis(trifluoromethyl)cyclohexane (CID 15656325) is 1,1,4,4-tetrakis(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1,1,4,4-tetrakis(trifluoromethyl)cyclohexane?
The canonical SMILES for 1,1,4,4-tetrakis(trifluoromethyl)cyclohexane is FC(F)(F)C1(C(F)(F)F)CCC(C(F)(F)F)(C(F)(F)F)CC1.
What is the InChIKey of 1,1,4,4-tetrakis(trifluoromethyl)cyclohexane?
The InChIKey is JPVJXZOVXVEUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F12/c11-7(12,13)5(8(14,15)16)1-2-6(4-3-5,9(17,18)19)10(20,21)22/h1-4H2.
What are the key properties of 1,1,4,4-tetrakis(trifluoromethyl)cyclohexane?
1,1,4,4-tetrakis(trifluoromethyl)cyclohexane has a molecular weight of 356.15 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetrakis(trifluoromethyl)cyclohexane is sourced from PubChem (CID 15656325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).