1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane

C10F18 — CID 175350979

IUPAC1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane
SMILESFC(F)=C(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10F18/c11-2(12)1(4(14,15)16)3(13)6(18,19)5(17,10(26,27)28)8(22,23)9(24,25)7(3,20)21
InChIKeyHOXYIQMTLPBDHV-UHFFFAOYSA-N
MW462.07 g/mol
LogP6.23
Rot. Bonds1

About 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane

1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane (PubChem CID 175350979) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane
PubChem CID175350979
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane
SMILESFC(F)=C(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10F18/c11-2(12)1(4(14,15)16)3(13)6(18,19)5(17,10(26,27)28)8(22,23)9(24,25)7(3,20)21
InChIKeyHOXYIQMTLPBDHV-UHFFFAOYSA-N
XLogP6.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane?
The IUPAC name of 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane (CID 175350979) is 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane is FC(F)=C(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane?
The InChIKey is HOXYIQMTLPBDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-2(12)1(4(14,15)16)3(13)6(18,19)5(17,10(26,27)28)8(22,23)9(24,25)7(3,20)21.
What are the key properties of 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane?
1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane has a molecular weight of 462.07 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-6-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 175350979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).