1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane

C10H9F13O — CID 19797730

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane
SMILESCC(C)COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O/c1-4(2)3-24-10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h4H,3H2,1-2H3
InChIKeyIKPYMGKSHAHTCM-UHFFFAOYSA-N
MW392.16 g/mol
LogP5.36
Rot. Bonds7

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane (PubChem CID 19797730) has the molecular formula C10H9F13O and a molecular weight of 392.16 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane
PubChem CID19797730
Molecular FormulaC10H9F13O
Molecular Weight392.16 g/mol
Exact Mass392.04
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane
SMILESCC(C)COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H9F13O/c1-4(2)3-24-10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h4H,3H2,1-2H3
InChIKeyIKPYMGKSHAHTCM-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.16
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane with MolForge

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Related Compounds

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CID 91447807
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 87277022
1-but-2-enoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
CID 87792375
1-(2-chloro-1,1,2-trifluoroethoxy)-2-methylpropane
CID 139683226
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
CID 71328605
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
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19-nonatriacontafluoro-21-methyldocosane
CID 58527537
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-12-methyltridecane
CID 59685379
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylperoxy)heptane
CID 139654060
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066
(2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine
CID 97302135
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane (CID 19797730) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane is CC(C)COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane?
The InChIKey is IKPYMGKSHAHTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F13O/c1-4(2)3-24-10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h4H,3H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane has a molecular weight of 392.16 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane is sourced from PubChem (CID 19797730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).