1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane

C10H3F19 — CID 167303486

IUPAC1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3F19/c1-2(11,12)4(14,15)6(18,19)8(22,23)7(20,21)5(16,17)3(13,9(24,25)26)10(27,28)29/h1H3
InChIKeyRXZUGLMZGJJDRL-UHFFFAOYSA-N
MW484.10 g/mol
LogP6.65
Rot. Bonds6

About 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane

1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane (PubChem CID 167303486) has the molecular formula C10H3F19 and a molecular weight of 484.10 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane
PubChem CID167303486
Molecular FormulaC10H3F19
Molecular Weight484.10 g/mol
Exact Mass483.99
IUPAC Name1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H3F19/c1-2(11,12)4(14,15)6(18,19)8(22,23)7(20,21)5(16,17)3(13,9(24,25)26)10(27,28)29/h1H3
InChIKeyRXZUGLMZGJJDRL-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.10
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane with MolForge

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 22600357
ethane;2,2,3,3,4,4,5,5-octafluorohexane
CID 144773774
1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane
CID 89358349
2,2,3,3,4,4-hexafluoropentane
CID 18188371
ethane;1,1,1,2,2,3,3-heptafluorobutane
CID 170760942
3-tert-butyl-1,1,1,2,2,3,4,4,5,5-decafluorohexane;3-tert-butyl-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluoroheptane;3-tert-butyl-1,1,1,2,2,3,4,4-octafluoropentane;2,2-difluoro-4,4-dimethyl-3,3-bis(trifluoromethyl)pentane;2,2-difluoro-3,3-dimethylbutane;2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-8,8-dimethylnonane;2,2,3,3,4,4-hexafluoro-5,5-dimethylhexane;methane;2,2,3,3,4,4,5,5-octafluoro-6,6-dimethylheptane;2,2,3,3-tetrafluoro-4,4-dimethylpentane;2,2,3-trifluoro-4,4-dimethyl-3-(trifluoromethyl)pentane;1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6,6-dimethylheptane
CID 158193185
1-(1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
CID 87506219
1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane
CID 129191399
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-hexadecafluoro-9-(trifluoromethyl)decan-2-yl]oxy-2-(trifluoromethyl)decane
CID 141408604
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane
CID 22735005
methane;2,2,3,3,4,5,5,7,7-nonafluoro-4-(trifluoromethyl)octane
CID 159474184
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane
CID 170095555

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane?
The IUPAC name of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane (CID 167303486) is 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane.
What is the SMILES notation for 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane?
The canonical SMILES for 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane?
The InChIKey is RXZUGLMZGJJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F19/c1-2(11,12)4(14,15)6(18,19)8(22,23)7(20,21)5(16,17)3(13,9(24,25)26)10(27,28)29/h1H3.
What are the key properties of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane?
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane has a molecular weight of 484.10 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-2-(trifluoromethyl)nonane is sourced from PubChem (CID 167303486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).