1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane

C10H12F8 — CID 15656333

IUPAC1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane
SMILESFCC1(C(F)(F)F)CCC(CF)(C(F)(F)F)CC1
InChIInChI=1S/C10H12F8/c11-5-7(9(13,14)15)1-2-8(6-12,4-3-7)10(16,17)18/h1-6H2
InChIKeyLINRZOMWEYRFOW-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.60
Rot. Bonds2

About 1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane

1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane (PubChem CID 15656333) has the molecular formula C10H12F8 and a molecular weight of 284.19 g/mol. Its IUPAC name is 1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane
PubChem CID15656333
Molecular FormulaC10H12F8
Molecular Weight284.19 g/mol
Exact Mass284.08
IUPAC Name1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane
SMILESFCC1(C(F)(F)F)CCC(CF)(C(F)(F)F)CC1
InChIInChI=1S/C10H12F8/c11-5-7(9(13,14)15)1-2-8(6-12,4-3-7)10(16,17)18/h1-6H2
InChIKeyLINRZOMWEYRFOW-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane?
The IUPAC name of 1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane (CID 15656333) is 1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane?
The canonical SMILES for 1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane is FCC1(C(F)(F)F)CCC(CF)(C(F)(F)F)CC1.
What is the InChIKey of 1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane?
The InChIKey is LINRZOMWEYRFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F8/c11-5-7(9(13,14)15)1-2-8(6-12,4-3-7)10(16,17)18/h1-6H2.
What are the key properties of 1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane?
1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane has a molecular weight of 284.19 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(fluoromethyl)-1,4-bis(trifluoromethyl)cyclohexane is sourced from PubChem (CID 15656333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).