1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate

C6HF11O2 — CID 91152091

IUPAC1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate
SMILESO=COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF11O2/c7-2(8,3(9,10)5(13,14)15)4(11,12)6(16,17)19-1-18/h1H
InChIKeyPXGWZUUEKVVNOO-UHFFFAOYSA-N
MW314.05 g/mol
LogP3.22
Rot. Bonds5

About 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate

1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate (PubChem CID 91152091) has the molecular formula C6HF11O2 and a molecular weight of 314.05 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate
PubChem CID91152091
Molecular FormulaC6HF11O2
Molecular Weight314.05 g/mol
Exact Mass313.98
IUPAC Name1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate
SMILESO=COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF11O2/c7-2(8,3(9,10)5(13,14)15)4(11,12)6(16,17)19-1-18/h1H
InChIKeyPXGWZUUEKVVNOO-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.05
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl formate
CID 91133971
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
[1,1,1,3,3,4,4-heptafluoro-4-formyloxy-2-(trifluoromethyl)butan-2-yl] 2,2,3,3,3-pentafluoropropanoate
CID 20760912
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
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl) but-2-enedioate
CID 173040296
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentacosafluorotridecanal
CID 91543394
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanal
CID 23080700
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-nonacosafluorotetradecyl prop-2-enoate
CID 20977299
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl 2,2,2-trifluoroacetate
CID 11039479

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate (CID 91152091) is 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate is O=COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate?
The InChIKey is PXGWZUUEKVVNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O2/c7-2(8,3(9,10)5(13,14)15)4(11,12)6(16,17)19-1-18/h1H.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate?
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate has a molecular weight of 314.05 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl formate is sourced from PubChem (CID 91152091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).