1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane

C12H12F12 — CID 15524969

IUPAC1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)CC1
InChIInChI=1S/C12H12F12/c13-7(11(19,20)21)9(15,16)5-1-2-6(4-3-5)10(17,18)8(14)12(22,23)24/h5-8H,1-4H2
InChIKeyQWNRKLOIMOYHES-UHFFFAOYSA-N
MW384.20 g/mol
LogP5.86
Rot. Bonds4

About 1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane

1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane (PubChem CID 15524969) has the molecular formula C12H12F12 and a molecular weight of 384.20 g/mol. Its IUPAC name is 1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane.

Molecular Properties

Compound Name1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane
PubChem CID15524969
Molecular FormulaC12H12F12
Molecular Weight384.20 g/mol
Exact Mass384.07
IUPAC Name1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane
SMILESFC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)CC1
InChIInChI=1S/C12H12F12/c13-7(11(19,20)21)9(15,16)5-1-2-6(4-3-5)10(17,18)8(14)12(22,23)24/h5-8H,1-4H2
InChIKeyQWNRKLOIMOYHES-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.20
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane?
The IUPAC name of 1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane (CID 15524969) is 1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane.
What is the SMILES notation for 1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane?
The canonical SMILES for 1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane is FC(C(F)(F)F)C(F)(F)C1CCC(C(F)(F)C(F)C(F)(F)F)CC1.
What is the InChIKey of 1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane?
The InChIKey is QWNRKLOIMOYHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F12/c13-7(11(19,20)21)9(15,16)5-1-2-6(4-3-5)10(17,18)8(14)12(22,23)24/h5-8H,1-4H2.
What are the key properties of 1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane?
1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane has a molecular weight of 384.20 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane is sourced from PubChem (CID 15524969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).