1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane

C8H9F9O2 — CID 19761955

IUPAC1,1,1,2,2,3,4,5,5-nonafluoro-3,5-dimethoxy-4-methylpentane
SMILESCC(C(C(C(F)(F)F)(F)F)(OC)F)(C(OC)(F)F)F
InChIInChI=1S/C8H9F9O2/c1-4(9,8(16,17)19-3)6(12,18-2)5(10,11)7(13,14)15/h1-3H3
InChIKeyRCQXRVRBZSJDKJ-UHFFFAOYSA-N
MW308.14 g/mol
LogP3.40
Rot. Bonds5

About 1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane

1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane (PubChem CID 19761955) has the molecular formula C8H9F9O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 1,1,1,2,2,3,4,5,5-nonafluoro-3,5-dimethoxy-4-methylpentane.

Molecular Properties

Compound Name1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane
PubChem CID19761955
Molecular FormulaC8H9F9O2
Molecular Weight308.14 g/mol
Exact Mass308.05
IUPAC Name1,1,1,2,2,3,4,5,5-nonafluoro-3,5-dimethoxy-4-methylpentane
SMILESCC(C(C(C(F)(F)F)(F)F)(OC)F)(C(OC)(F)F)F
InChIInChI=1S/C8H9F9O2/c1-4(9,8(16,17)19-3)6(12,18-2)5(10,11)7(13,14)15/h1-3H3
InChIKeyRCQXRVRBZSJDKJ-UHFFFAOYSA-N
XLogP3.40
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms19
Complexity329

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.14
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

1,3-Diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane
CID 19761929
1,1,1,2,3,5,5,5-Octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane
CID 20520084
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;fluoromethane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane
CID 54199223
1,1,2,4,4,5-Hexafluoro-1-methoxy-2-methylpentane
CID 58419167
2-[Difluoro-(1,1,1,2-tetrafluoro-2,3-dimethylpentan-3-yl)oxymethyl]-1,1,1,2-tetrafluoro-3-methoxy-3-methylpentane
CID 88557571
1,1,1,2,3,4,5,5,5-Nonafluoro-3-pentoxy-2-(trifluoromethyl)pentane
CID 88866006
1,1,1,2,3,4,5,5,5-Nonafluoro-2-pentoxy-4-(trifluoromethyl)pentane
CID 88866011
2,2,3,4,4,5-Hexafluoro-5-(fluoromethoxy)-3-(trifluoromethoxy)hexane
CID 89254567
1,1,1-Trifluoro-2-methoxy-2-(trifluoromethyl)hexane
CID 148132607
1,1,2,2-Tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane
CID 154600994
Ethane;1,1,1,3,3,4,4-heptafluoro-2-methoxy-2-(trifluoromethyl)pentane
CID 156806365
1,1,1,2,2,3,4,4,4-Nonafluoro-3-methoxybutane;1,1,2,2,3,3,4,4-octafluoro-1-methoxypentane
CID 157591472

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane?
The IUPAC name of 1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane (CID 19761955) is 1,1,1,2,2,3,4,5,5-nonafluoro-3,5-dimethoxy-4-methylpentane.
What is the SMILES notation for 1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane?
The canonical SMILES for 1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane is CC(C(C(C(F)(F)F)(F)F)(OC)F)(C(OC)(F)F)F.
What is the InChIKey of 1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane?
The InChIKey is RCQXRVRBZSJDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O2/c1-4(9,8(16,17)19-3)6(12,18-2)5(10,11)7(13,14)15/h1-3H3.
What are the key properties of 1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane?
1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane has a molecular weight of 308.14 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane is sourced from PubChem (CID 19761955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).