1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane

C10H7F13O — CID 102243922

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane
SMILESC=CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F13O/c1-2-3-24-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3-4H2
InChIKeyAIODGBDJTNKNME-UHFFFAOYSA-N
MW390.14 g/mol
LogP4.93
Rot. Bonds8

About 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane (PubChem CID 102243922) has the molecular formula C10H7F13O and a molecular weight of 390.14 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane
PubChem CID102243922
Molecular FormulaC10H7F13O
Molecular Weight390.14 g/mol
Exact Mass390.03
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane
SMILESC=CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F13O/c1-2-3-24-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3-4H2
InChIKeyAIODGBDJTNKNME-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.14
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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-nonadecafluoro-10-prop-2-enoxydecane
CID 102243921
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-prop-2-enoxyundecane
CID 101145950
CID 158938378
CID 158938378
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-11-[2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propoxy]undecane
CID 11115003
5-ethenoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 57443666
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridec-1-ene
CID 11249951
1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol
CID 153446280
6-(2-chloroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 98454570
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl)oxypropane
CID 75412010
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl prop-2-enoate
CID 3013855
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane
CID 71669115
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-[2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-(trifluoromethyl)nonoxy]-2-(trifluoromethyl)nonane
CID 141408599

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane (CID 102243922) is 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane is C=CCOCC(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-7-prop-2-enoxyheptane?
The InChIKey is AIODGBDJTNKNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F13O/c1-2-3-24-4-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2H,1,3-4H2.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane?
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane has a molecular weight of 390.14 g/mol, XLogP of 4.93, 8 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-7-prop-2-enoxyheptane is sourced from PubChem (CID 102243922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).