trifluoromethyl 2-methylidenedecanoate

C12H19F3O2 — CID 90990908

IUPACtrifluoromethyl 2-methylidenedecanoate
SMILESC=C(CCCCCCCC)C(=O)OC(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-3-4-5-6-7-8-9-10(2)11(16)17-12(13,14)15/h2-9H2,1H3
InChIKeyFYUOWQWHWZGLQA-UHFFFAOYSA-N
MW252.28 g/mol
LogP4.36
Rot. Bonds8

About trifluoromethyl 2-methylidenedecanoate

trifluoromethyl 2-methylidenedecanoate (PubChem CID 90990908) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is trifluoromethyl 2-methylidenedecanoate.

Molecular Properties

Compound Nametrifluoromethyl 2-methylidenedecanoate
PubChem CID90990908
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Nametrifluoromethyl 2-methylidenedecanoate
SMILESC=C(CCCCCCCC)C(=O)OC(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-3-4-5-6-7-8-9-10(2)11(16)17-12(13,14)15/h2-9H2,1H3
InChIKeyFYUOWQWHWZGLQA-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 54.36
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

2-methylidenetetradecanoyl 2-methylidenetetradecanoate
CID 175288875
fluoromethyl 2-methylidenetetradecanoate
CID 174698214
fluoromethyl 2-methylidenenonanoate
CID 160819966
ethyl 2-methylideneicosanoate
CID 22336431
nonyl 2-methylideneundecanoate
CID 142441213
octadecyl 2-methylideneicosanoate
CID 57219526
butyl 2-methylideneoctanoate
CID 23364330
heptyl 2-methylideneundecanoate
CID 176549260
ethene;ethyl 2-methylideneoctanoate
CID 87556875
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylideneoctanoate
CID 141487337
1-fluoroheptyl 2-methylidenetetradecanoate
CID 156699998
ethane;tetrakis(2-methylidenepentadecanethioic S-acid)
CID 173399640

Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 2-methylidenedecanoate?
The IUPAC name of trifluoromethyl 2-methylidenedecanoate (CID 90990908) is trifluoromethyl 2-methylidenedecanoate.
What is the SMILES notation for trifluoromethyl 2-methylidenedecanoate?
The canonical SMILES for trifluoromethyl 2-methylidenedecanoate is C=C(CCCCCCCC)C(=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl 2-methylidenedecanoate?
The InChIKey is FYUOWQWHWZGLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-3-4-5-6-7-8-9-10(2)11(16)17-12(13,14)15/h2-9H2,1H3.
What are the key properties of trifluoromethyl 2-methylidenedecanoate?
trifluoromethyl 2-methylidenedecanoate has a molecular weight of 252.28 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 2-methylidenedecanoate is sourced from PubChem (CID 90990908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).