ethyl (E)-10,10,10-trifluorodec-2-enoate

C12H19F3O2 — CID 86672773

IUPACethyl (E)-10,10,10-trifluorodec-2-enoate
SMILESCCOC(=O)/C=C/CCCCCCC(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-2-17-11(16)9-7-5-3-4-6-8-10-12(13,14)15/h7,9H,2-6,8,10H2,1H3/b9-7+
InChIKeyYQUHLWFWHOVBKC-VQHVLOKHSA-N
MW252.28 g/mol
LogP4.01
Rot. Bonds8

About ethyl (E)-10,10,10-trifluorodec-2-enoate

ethyl (E)-10,10,10-trifluorodec-2-enoate (PubChem CID 86672773) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is ethyl (E)-10,10,10-trifluorodec-2-enoate.

Molecular Properties

Compound Nameethyl (E)-10,10,10-trifluorodec-2-enoate
PubChem CID86672773
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Nameethyl (E)-10,10,10-trifluorodec-2-enoate
SMILESCCOC(=O)/C=C/CCCCCCC(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-2-17-11(16)9-7-5-3-4-6-8-10-12(13,14)15/h7,9H,2-6,8,10H2,1H3/b9-7+
InChIKeyYQUHLWFWHOVBKC-VQHVLOKHSA-N
XLogP4.01
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 ≤ 54.01
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

ethyl (E)-octadec-2-enoate
CID 10913939
ethyl tridec-2-enoate
CID 54010960
ethyl (2Z)-deca-2,9-dienoate
CID 141142906
ethyl 8-bromooct-2-enoate
CID 71343467
ethyl (E)-7-aminohept-2-enoate
CID 55267330
ethyl (E)-5,5,5-trifluoropent-2-enoate
CID 15104041
ethyl 13-methyltetradec-2-enoate
CID 71332881
ethyl (16Z)-docosa-2,13,16-trienoate
CID 175935939
ethyl (E)-10-hydroxyundec-2-enoate
CID 11572146
ethyl (2E,8E)-undeca-2,8,10-trienoate
CID 15013142
ethyl (Z)-pent-2-enoate
CID 11332473
ethyl (E)-5-hydroxypent-2-enoate
CID 13062577

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-10,10,10-trifluorodec-2-enoate?
The IUPAC name of ethyl (E)-10,10,10-trifluorodec-2-enoate (CID 86672773) is ethyl (E)-10,10,10-trifluorodec-2-enoate.
What is the SMILES notation for ethyl (E)-10,10,10-trifluorodec-2-enoate?
The canonical SMILES for ethyl (E)-10,10,10-trifluorodec-2-enoate is CCOC(=O)/C=C/CCCCCCC(F)(F)F.
What is the InChIKey of ethyl (E)-10,10,10-trifluorodec-2-enoate?
The InChIKey is YQUHLWFWHOVBKC-VQHVLOKHSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-2-17-11(16)9-7-5-3-4-6-8-10-12(13,14)15/h7,9H,2-6,8,10H2,1H3/b9-7+.
What are the key properties of ethyl (E)-10,10,10-trifluorodec-2-enoate?
ethyl (E)-10,10,10-trifluorodec-2-enoate has a molecular weight of 252.28 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-10,10,10-trifluorodec-2-enoate is sourced from PubChem (CID 86672773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).