1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane

C10H15F5 — CID 164775045

IUPAC1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1C(F)C(F)C(F)C(F)C1F
InChIInChI=1S/C10H15F5/c1-4(2)3-5-6(11)8(13)10(15)9(14)7(5)12/h4-10H,3H2,1-2H3
InChIKeyHIYKBQADIFTKCY-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.35
Rot. Bonds2

About 1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane

1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane (PubChem CID 164775045) has the molecular formula C10H15F5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane
PubChem CID164775045
Molecular FormulaC10H15F5
Molecular Weight230.22 g/mol
Exact Mass230.11
IUPAC Name1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane
SMILESCC(C)CC1C(F)C(F)C(F)C(F)C1F
InChIInChI=1S/C10H15F5/c1-4(2)3-5-6(11)8(13)10(15)9(14)7(5)12/h4-10H,3H2,1-2H3
InChIKeyHIYKBQADIFTKCY-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-9-methyldecane
CID 22011097
3-(Perfluorohexyl)-2-methylpropane
CID 22011095
1,1,1,2,2,3,3,4,4-Nonafluoro-7-methyloctane
CID 22011096
Cyclohexane, (1,1,2,3,3,3-hexafluoropropyl)-
CID 10823560
(1,1,2-Trifluoro-ethyl)-cyclohexane
CID 12634318
1,3-Bis(trifluoromethyl)cyclohexane (cis-and trans-mixture)
CID 12579042
Heptafluoroisopropyl-2,3,5,6-tetrafluoro-benzene
CID 22173776
2,2-Difluoroethylcyclohexane
CID 23184759
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylcyclohexane
CID 10962173
(Nonafluorobutyl)cyclohexane
CID 11822771
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-11-methyldodecane
CID 20576124
1,1,1,2,3,3,3-Heptafluoropropan-2-ylcyclohexane
CID 23233287

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane (CID 164775045) is 1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane is CC(C)CC1C(F)C(F)C(F)C(F)C1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane?
The InChIKey is HIYKBQADIFTKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5/c1-4(2)3-5-6(11)8(13)10(15)9(14)7(5)12/h4-10H,3H2,1-2H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane?
1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane has a molecular weight of 230.22 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 164775045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).