fluoromethyl 2-methylidenetetradecanoate

C16H29FO2 — CID 174698214

IUPACfluoromethyl 2-methylidenetetradecanoate
SMILESC=C(CCCCCCCCCCCC)C(=O)OCF
InChIInChI=1S/C16H29FO2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)16(18)19-14-17/h2-14H2,1H3
InChIKeyKHSTURXJBFAUQD-UHFFFAOYSA-N
MW272.40 g/mol
LogP5.32
Rot. Bonds13

About fluoromethyl 2-methylidenetetradecanoate

fluoromethyl 2-methylidenetetradecanoate (PubChem CID 174698214) has the molecular formula C16H29FO2 and a molecular weight of 272.40 g/mol. Its IUPAC name is fluoromethyl 2-methylidenetetradecanoate.

Molecular Properties

Compound Namefluoromethyl 2-methylidenetetradecanoate
PubChem CID174698214
Molecular FormulaC16H29FO2
Molecular Weight272.40 g/mol
Exact Mass272.22
IUPAC Namefluoromethyl 2-methylidenetetradecanoate
SMILESC=C(CCCCCCCCCCCC)C(=O)OCF
InChIInChI=1S/C16H29FO2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)16(18)19-14-17/h2-14H2,1H3
InChIKeyKHSTURXJBFAUQD-UHFFFAOYSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.40
LogP ≤ 55.32
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

fluoromethyl 2-methylidenenonanoate
CID 160819966
ethyl 2-methylideneicosanoate
CID 22336431
heptyl 2-methylideneundecanoate
CID 176549260
nonyl 2-methylideneundecanoate
CID 142441213
butyl 2-methylideneoctanoate
CID 23364330
octadecyl 2-methylideneicosanoate
CID 57219526
ethene;ethyl 2-methylideneoctanoate
CID 87556875
6-hydroxyhexyl 2-methylidenepentadecanoate
CID 87107597
2-methylidenetetradecanoyl 2-methylidenetetradecanoate
CID 175288875
ethyl 8-fluoro-2-methylideneoctanoate
CID 118365464
butyl 2-methylidenedecanoate;nitrous acid
CID 174807118
trifluoromethyl 2-methylidenedecanoate
CID 90990908

Frequently Asked Questions

What is the IUPAC name of fluoromethyl 2-methylidenetetradecanoate?
The IUPAC name of fluoromethyl 2-methylidenetetradecanoate (CID 174698214) is fluoromethyl 2-methylidenetetradecanoate.
What is the SMILES notation for fluoromethyl 2-methylidenetetradecanoate?
The canonical SMILES for fluoromethyl 2-methylidenetetradecanoate is C=C(CCCCCCCCCCCC)C(=O)OCF.
What is the InChIKey of fluoromethyl 2-methylidenetetradecanoate?
The InChIKey is KHSTURXJBFAUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29FO2/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)16(18)19-14-17/h2-14H2,1H3.
What are the key properties of fluoromethyl 2-methylidenetetradecanoate?
fluoromethyl 2-methylidenetetradecanoate has a molecular weight of 272.40 g/mol, XLogP of 5.32, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl 2-methylidenetetradecanoate is sourced from PubChem (CID 174698214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).