undecyl 3,3-difluoro-2-methylprop-2-enoate

C15H26F2O2 — CID 175057000

IUPACundecyl 3,3-difluoro-2-methylprop-2-enoate
SMILESCCCCCCCCCCCOC(=O)C(C)=C(F)F
InChIInChI=1S/C15H26F2O2/c1-3-4-5-6-7-8-9-10-11-12-19-15(18)13(2)14(16)17/h3-12H2,1-2H3
InChIKeyLTYHOCRLUGJUGE-UHFFFAOYSA-N
MW276.37 g/mol
LogP5.23
Rot. Bonds11

About undecyl 3,3-difluoro-2-methylprop-2-enoate

undecyl 3,3-difluoro-2-methylprop-2-enoate (PubChem CID 175057000) has the molecular formula C15H26F2O2 and a molecular weight of 276.37 g/mol. Its IUPAC name is undecyl 3,3-difluoro-2-methylprop-2-enoate.

Molecular Properties

Compound Nameundecyl 3,3-difluoro-2-methylprop-2-enoate
PubChem CID175057000
Molecular FormulaC15H26F2O2
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Nameundecyl 3,3-difluoro-2-methylprop-2-enoate
SMILESCCCCCCCCCCCOC(=O)C(C)=C(F)F
InChIInChI=1S/C15H26F2O2/c1-3-4-5-6-7-8-9-10-11-12-19-15(18)13(2)14(16)17/h3-12H2,1-2H3
InChIKeyLTYHOCRLUGJUGE-UHFFFAOYSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.37
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dioctyl 2,3-dimethylbut-2-enedioate
CID 173381299
dipentyl (Z)-2,3-dimethylbut-2-enedioate
CID 175563283
decyl 2,3-dimethylbut-2-enoate
CID 146279966
ditridecyl oxalate
CID 18377796
dodecyl 2,3-dimethylpent-2-enoate
CID 175923005
octyl 2-methyl-3-propylhex-2-enoate
CID 175495507
hexyl 2,3-dimethylhex-2-enoate
CID 175495460
dibutyl (Z)-2,3-dimethylbut-2-enedioate
CID 87788407
dodecyl 2-fluoro-2-sulfanylideneacetate
CID 87733560
dioctyl 2-methyl-3-octylbut-2-enedioate
CID 173381297
octyl 3-ethyl-2-methylhex-2-enoate
CID 175495245
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054

Frequently Asked Questions

What is the IUPAC name of undecyl 3,3-difluoro-2-methylprop-2-enoate?
The IUPAC name of undecyl 3,3-difluoro-2-methylprop-2-enoate (CID 175057000) is undecyl 3,3-difluoro-2-methylprop-2-enoate.
What is the SMILES notation for undecyl 3,3-difluoro-2-methylprop-2-enoate?
The canonical SMILES for undecyl 3,3-difluoro-2-methylprop-2-enoate is CCCCCCCCCCCOC(=O)C(C)=C(F)F.
What is the InChIKey of undecyl 3,3-difluoro-2-methylprop-2-enoate?
The InChIKey is LTYHOCRLUGJUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2O2/c1-3-4-5-6-7-8-9-10-11-12-19-15(18)13(2)14(16)17/h3-12H2,1-2H3.
What are the key properties of undecyl 3,3-difluoro-2-methylprop-2-enoate?
undecyl 3,3-difluoro-2-methylprop-2-enoate has a molecular weight of 276.37 g/mol, XLogP of 5.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl 3,3-difluoro-2-methylprop-2-enoate is sourced from PubChem (CID 175057000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).