methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate

C11H11F11O2 — CID 87161863

IUPACmethyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate
SMILESCOC(=O)C(F)(F)CCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F11O2/c1-24-6(23)7(12,13)2-3-8(14,15)9(16,17)4-5-10(18,19)11(20,21)22/h2-5H2,1H3
InChIKeyGKYCOCQKQHUIQF-UHFFFAOYSA-N
MW384.19 g/mol
LogP4.82
Rot. Bonds8

About methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate

methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate (PubChem CID 87161863) has the molecular formula C11H11F11O2 and a molecular weight of 384.19 g/mol. Its IUPAC name is methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate.

Molecular Properties

Compound Namemethyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate
PubChem CID87161863
Molecular FormulaC11H11F11O2
Molecular Weight384.19 g/mol
Exact Mass384.06
IUPAC Namemethyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate
SMILESCOC(=O)C(F)(F)CCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H11F11O2/c1-24-6(23)7(12,13)2-3-8(14,15)9(16,17)4-5-10(18,19)11(20,21)22/h2-5H2,1H3
InChIKeyGKYCOCQKQHUIQF-UHFFFAOYSA-N
XLogP4.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 54.82
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

methyl 2,2-difluoro-3-methoxypropanoate
CID 2769543
1,1,1,2,2,5,5,6,6,9,9,10,10,10-tetradecafluorodecane
CID 607523
methyl 2,2-difluoroheptadecanoate
CID 150501536
methyl 2,2-difluorodecanoate
CID 22025599
methyl 3,3,4,4,4-pentafluorobutyl carbonate
CID 154933839
dimethyl 2-(3,3,4,4,4-pentafluorobutyl)propanedioate
CID 139808891
methyl 11,11,12,12,12-pentafluorododecanoate
CID 11324149
ethyl N-(3,3,4,4,7,7,8,8,8-nonafluorooctyl)carbamate
CID 87121782
dimethyl 2-bromo-4,4-difluoro-2-methylpentanedioate
CID 155658067
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecan-1-ol
CID 87061527
methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 20742589
methyl 2-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 13024469

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate?
The IUPAC name of methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate (CID 87161863) is methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate.
What is the SMILES notation for methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate?
The canonical SMILES for methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate is COC(=O)C(F)(F)CCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)F.
What is the InChIKey of methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate?
The InChIKey is GKYCOCQKQHUIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F11O2/c1-24-6(23)7(12,13)2-3-8(14,15)9(16,17)4-5-10(18,19)11(20,21)22/h2-5H2,1H3.
What are the key properties of methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate?
methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate has a molecular weight of 384.19 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,5,5,6,6,9,9,10,10,10-undecafluorodecanoate is sourced from PubChem (CID 87161863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).