1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane

C10H13F9O2 — CID 19761929

IUPAC1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane
SMILESCCOC(F)(F)C(C)(F)C(F)(OCC)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F9O2/c1-4-20-8(14,7(12,13)9(15,16)17)6(3,11)10(18,19)21-5-2/h4-5H2,1-3H3
InChIKeyJAIISGWXIWIOKA-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.24
Rot. Bonds7

About 1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane

1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane (PubChem CID 19761929) has the molecular formula C10H13F9O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane.

Molecular Properties

Compound Name1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane
PubChem CID19761929
Molecular FormulaC10H13F9O2
Molecular Weight336.19 g/mol
Exact Mass336.08
IUPAC Name1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane
SMILESCCOC(F)(F)C(C)(F)C(F)(OCC)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F9O2/c1-4-20-8(14,7(12,13)9(15,16)17)6(3,11)10(18,19)21-5-2/h4-5H2,1-3H3
InChIKeyJAIISGWXIWIOKA-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hexafluorisopropylmethylather
CID 129635123
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
2-Butoxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 12713814
1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane
CID 19761955
3-Ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
CID 19761961
1,1,1,2,2,3,4,5,5,5-Decafluoro-4-methyl-3-(3-methylbutoxy)pentane
CID 19761972
1,1,1,2,3,5,5,5-Octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane
CID 20520084
3-[3-[1,1,1,2,2,3,4,5,5,5-Decafluoro-4-(trifluoromethyl)pentan-3-yl]oxypropoxy]-1,1,1,2,2,3,4,5,5,5-decafluoro-4-(trifluoromethyl)pentane
CID 22292396
1-(1,1,2,2-Tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane
CID 22967412
1-Methoxy-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)pentane
CID 22967415
1,1,1,2,3,4,5,5,5-Nonafluoro-2,4-dimethyl-3-propoxypentane
CID 23042180

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane?
The IUPAC name of 1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane (CID 19761929) is 1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane.
What is the SMILES notation for 1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane?
The canonical SMILES for 1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane is CCOC(F)(F)C(C)(F)C(F)(OCC)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane?
The InChIKey is JAIISGWXIWIOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9O2/c1-4-20-8(14,7(12,13)9(15,16)17)6(3,11)10(18,19)21-5-2/h4-5H2,1-3H3.
What are the key properties of 1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane?
1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane has a molecular weight of 336.19 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane is sourced from PubChem (CID 19761929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).