ethyl 8-fluoro-6-methylidenedec-7-enoate

C13H21FO2 — CID 91061406

IUPACethyl 8-fluoro-6-methylidenedec-7-enoate
SMILESC=C(C=C(F)CC)CCCCC(=O)OCC
InChIInChI=1S/C13H21FO2/c1-4-12(14)10-11(3)8-6-7-9-13(15)16-5-2/h10H,3-9H2,1-2H3
InChIKeyCGKMUSLOMRVEDH-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.93
Rot. Bonds8

About ethyl 8-fluoro-6-methylidenedec-7-enoate

ethyl 8-fluoro-6-methylidenedec-7-enoate (PubChem CID 91061406) has the molecular formula C13H21FO2 and a molecular weight of 228.31 g/mol. Its IUPAC name is ethyl 8-fluoro-6-methylidenedec-7-enoate.

Molecular Properties

Compound Nameethyl 8-fluoro-6-methylidenedec-7-enoate
PubChem CID91061406
Molecular FormulaC13H21FO2
Molecular Weight228.31 g/mol
Exact Mass228.15
IUPAC Nameethyl 8-fluoro-6-methylidenedec-7-enoate
SMILESC=C(C=C(F)CC)CCCCC(=O)OCC
InChIInChI=1S/C13H21FO2/c1-4-12(14)10-11(3)8-6-7-9-13(15)16-5-2/h10H,3-9H2,1-2H3
InChIKeyCGKMUSLOMRVEDH-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 10-fluoroundec-10-enoate
CID 11791034
diethyl hexanedioate
CID 160747628
diethyl 6-methylideneundecanedioate
CID 57123077
diethyl icosanedioate
CID 5058538
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194
sodium;diethyl decanedioate;hydride
CID 173076435
ethyl hept-6-enoate
CID 560341
ethyl (5Z)-7-fluoro-4-methylideneocta-5,7-dienoate
CID 166152910
ethyl 6-fluorohexanoate
CID 11518
ethyl 18-fluorooctadecanoate
CID 155894246
ethyl 5-prop-1-en-2-yloxypentanoate
CID 87413357
ethyl undecanoate
CID 12327

Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-6-methylidenedec-7-enoate?
The IUPAC name of ethyl 8-fluoro-6-methylidenedec-7-enoate (CID 91061406) is ethyl 8-fluoro-6-methylidenedec-7-enoate.
What is the SMILES notation for ethyl 8-fluoro-6-methylidenedec-7-enoate?
The canonical SMILES for ethyl 8-fluoro-6-methylidenedec-7-enoate is C=C(C=C(F)CC)CCCCC(=O)OCC.
What is the InChIKey of ethyl 8-fluoro-6-methylidenedec-7-enoate?
The InChIKey is CGKMUSLOMRVEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO2/c1-4-12(14)10-11(3)8-6-7-9-13(15)16-5-2/h10H,3-9H2,1-2H3.
What are the key properties of ethyl 8-fluoro-6-methylidenedec-7-enoate?
ethyl 8-fluoro-6-methylidenedec-7-enoate has a molecular weight of 228.31 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-6-methylidenedec-7-enoate is sourced from PubChem (CID 91061406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).