ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane

C19H26F18 — CID 54056623

IUPACethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane
SMILESCC.CC(F)(C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.CCCCCCC
InChIInChI=1S/C10H4F18.C7H16.C2H6/c1-3(11,6(14,15)16)2(4(12,7(17,18)19)8(20,21)22)5(13,9(23,24)25)10(26,27)28;1-3-5-7-6-4-2;1-2/h2H,1H3;3-7H2,1-2H3;1-2H3
InChIKeyLWSFTVZFNMYPOW-UHFFFAOYSA-N
MW596.38 g/mol
LogP10.56
Rot. Bonds7

About ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane

ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane (PubChem CID 54056623) has the molecular formula C19H26F18 and a molecular weight of 596.38 g/mol. Its IUPAC name is ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Nameethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane
PubChem CID54056623
Molecular FormulaC19H26F18
Molecular Weight596.38 g/mol
Exact Mass596.17
IUPAC Nameethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane
SMILESCC.CC(F)(C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.CCCCCCC
InChIInChI=1S/C10H4F18.C7H16.C2H6/c1-3(11,6(14,15)16)2(4(12,7(17,18)19)8(20,21)22)5(13,9(23,24)25)10(26,27)28;1-3-5-7-6-4-2;1-2/h2H,1H3;3-7H2,1-2H3;1-2H3
InChIKeyLWSFTVZFNMYPOW-UHFFFAOYSA-N
XLogP10.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.38
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane with MolForge

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Related Compounds

1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;hexane;octane
CID 54245833
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
2,2-dimethylpropane;heptane
CID 144531055
ethane;octadecane
CID 143981738
7-(1,1,1-trifluoro-2-methylpropan-2-yl)pentadecane
CID 172743472
ethane;heptane;2-methylpropane
CID 167499531
11,11,12,13,14,15,15-heptafluoro-10,16-di(nonyl)-12,13,14-tris(trifluoromethyl)pentacosane
CID 58991617
ethane;heptane;methane
CID 142916060
ethane;methane;octane
CID 158155293
ethane;methane;tridecane
CID 159295261
ethane;heptane;pentane
CID 142269041

Frequently Asked Questions

What is the IUPAC name of ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane?
The IUPAC name of ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane (CID 54056623) is ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane.
What is the SMILES notation for ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane?
The canonical SMILES for ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane is CC.CC(F)(C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.CCCCCCC.
What is the InChIKey of ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane?
The InChIKey is LWSFTVZFNMYPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F18.C7H16.C2H6/c1-3(11,6(14,15)16)2(4(12,7(17,18)19)8(20,21)22)5(13,9(23,24)25)10(26,27)28;1-3-5-7-6-4-2;1-2/h2H,1H3;3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane?
ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane has a molecular weight of 596.38 g/mol, XLogP of 10.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;heptane;1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)pentane is sourced from PubChem (CID 54056623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).