1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane

C10H4F18 — CID 87315468

IUPAC1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
SMILESCC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F18/c1-2(3(11,12)5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)28/h2H,1H3
InChIKeyWHYIKRNPSPPJRT-UHFFFAOYSA-N
MW466.11 g/mol
LogP6.56
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane

1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane (PubChem CID 87315468) has the molecular formula C10H4F18 and a molecular weight of 466.11 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
PubChem CID87315468
Molecular FormulaC10H4F18
Molecular Weight466.11 g/mol
Exact Mass466.00
IUPAC Name1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane
SMILESCC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F18/c1-2(3(11,12)5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)28/h2H,1H3
InChIKeyWHYIKRNPSPPJRT-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.11
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane with MolForge

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Related Compounds

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4,4,5,5,6,6,7,7,7-nonafluoro-2-iodo-3-methylheptanenitrile
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1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-methyl-8-(5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-4-methyldecan-3-yl)oxydecane
CID 175309033
8-ethenyl-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7,10-dimethylundecane
CID 163735065
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl-di(propan-2-yl)silane
CID 152743592
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-methyldecoxy)-9-methyldecane
CID 175131695
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-7-iodo-6-methylhexadecane
CID 153324126
2-ethoxycarbonyl-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-3-methylundecanoic acid
CID 88657742
acetic acid;3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecan-2-ol
CID 175586310
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-2-methyldecanamide
CID 174838828
(2S)-3,3,4,4,5,5,5-heptafluoropentan-2-amine
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CID 175811708
CID 175811708

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane (CID 87315468) is 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane is CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane?
The InChIKey is WHYIKRNPSPPJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F18/c1-2(3(11,12)5(15,16)7(19,20)9(23,24)25)4(13,14)6(17,18)8(21,22)10(26,27)28/h2H,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane?
1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane has a molecular weight of 466.11 g/mol, XLogP of 6.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,6,6,7,7,8,8,9,9,9-octadecafluoro-5-methylnonane is sourced from PubChem (CID 87315468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).