1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane

C12H12F12 — CID 139197829

IUPAC1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane
SMILESF[C@H](C(F)(F)F)C(F)(F)C1CCC(C(F)(F)[C@@H](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/t5?,6?,7-,8+
InChIKeyQWNRKLOIMOYHES-HYNHDVCUSA-N
MW384.20 g/mol
LogP5.86
Rot. Bonds4

About 1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane

1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane (PubChem CID 139197829) has the molecular formula C12H12F12 and a molecular weight of 384.20 g/mol. Its IUPAC name is 1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane.

Molecular Properties

Compound Name1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane
PubChem CID139197829
Molecular FormulaC12H12F12
Molecular Weight384.20 g/mol
Exact Mass384.07
IUPAC Name1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane
SMILESF[C@H](C(F)(F)F)C(F)(F)C1CCC(C(F)(F)[C@@H](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/t5?,6?,7-,8+
InChIKeyQWNRKLOIMOYHES-HYNHDVCUSA-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-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane?
The IUPAC name of 1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane (CID 139197829) is 1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane.
What is the SMILES notation for 1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane?
The canonical SMILES for 1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane is F[C@H](C(F)(F)F)C(F)(F)C1CCC(C(F)(F)[C@@H](F)C(F)(F)F)CC1.
What is the InChIKey of 1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane?
The InChIKey is QWNRKLOIMOYHES-HYNHDVCUSA-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/t5?,6?,7-,8+.
What are the key properties of 1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane?
1-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-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-[(2R)-1,1,2,3,3,3-hexafluoropropyl]-4-[(2S)-1,1,2,3,3,3-hexafluoropropyl]cyclohexane is sourced from PubChem (CID 139197829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).