1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane

C11H16F6 — CID 20594920

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane
SMILESCC1CCC(C(C)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H16F6/c1-7-3-5-8(6-4-7)9(2,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3
InChIKeyBYKKFLGIBGNSAY-UHFFFAOYSA-N
MW262.24 g/mol
LogP4.94
Rot. Bonds1

About 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane

1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane (PubChem CID 20594920) has the molecular formula C11H16F6 and a molecular weight of 262.24 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane
PubChem CID20594920
Molecular FormulaC11H16F6
Molecular Weight262.24 g/mol
Exact Mass262.12
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane
SMILESCC1CCC(C(C)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H16F6/c1-7-3-5-8(6-4-7)9(2,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3
InChIKeyBYKKFLGIBGNSAY-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Tert-butyl-1,1-difluorocyclohexane
CID 640499
1-Tert-butyl-4-fluorocyclohexane
CID 21219366
trans-1-Isopropyl-4-trifluoromethyl-cyclohexane
CID 23389027
[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclohexane
CID 44183202
Nonafluoro-t-butylbenzene
CID 129811954
1,1-Difluoro-2,3,3-trimethylcyclohexane
CID 134969874
4-Tert-butyl-1-fluoro-1-methylcyclohexane
CID 13144928
1-Ethyl-4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexyl]cyclohexane
CID 14273941
1-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)-4-(4-propylcyclohexyl)cyclohexane
CID 14273942
1-Butyl-4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexyl]cyclohexane
CID 14273943
1-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 14273944
1,1-Difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 14618233

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane (CID 20594920) is 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane is CC1CCC(C(C)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane?
The InChIKey is BYKKFLGIBGNSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6/c1-7-3-5-8(6-4-7)9(2,10(12,13)14)11(15,16)17/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane?
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-4-methylcyclohexane has a molecular weight of 262.24 g/mol, XLogP of 4.94, 1 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-methylpropan-2-yl)-4-methylcyclohexane is sourced from PubChem (CID 20594920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).