1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane

C17H26F6 — CID 20583760

IUPAC1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
SMILESCC1CCC(C(C2CCC(C)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H26F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyFONIAOUIWLFMAJ-UHFFFAOYSA-N
MW344.38 g/mol
LogP6.75
Rot. Bonds2

About 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane

1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane (PubChem CID 20583760) has the molecular formula C17H26F6 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
PubChem CID20583760
Molecular FormulaC17H26F6
Molecular Weight344.38 g/mol
Exact Mass344.19
IUPAC Name1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane
SMILESCC1CCC(C(C2CCC(C)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C17H26F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3
InChIKeyFONIAOUIWLFMAJ-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.38
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane?
The IUPAC name of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane (CID 20583760) is 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane.
What is the SMILES notation for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane?
The canonical SMILES for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane is CC1CCC(C(C2CCC(C)CC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane?
The InChIKey is FONIAOUIWLFMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane?
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane has a molecular weight of 344.38 g/mol, XLogP of 6.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]-4-methylcyclohexane is sourced from PubChem (CID 20583760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).