6,6,6-trifluorohex-4-enyl prop-2-enoate

C9H11F3O2 — CID 175221470

IUPAC6,6,6-trifluorohex-4-enyl prop-2-enoate
SMILESC=CC(=O)OCCCC=CC(F)(F)F
InChIInChI=1S/C9H11F3O2/c1-2-8(13)14-7-5-3-4-6-9(10,11)12/h2,4,6H,1,3,5,7H2
InChIKeyDFAULWODGIGDRW-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.61
Rot. Bonds5

About 6,6,6-trifluorohex-4-enyl prop-2-enoate

6,6,6-trifluorohex-4-enyl prop-2-enoate (PubChem CID 175221470) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 6,6,6-trifluorohex-4-enyl prop-2-enoate.

Molecular Properties

Compound Name6,6,6-trifluorohex-4-enyl prop-2-enoate
PubChem CID175221470
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name6,6,6-trifluorohex-4-enyl prop-2-enoate
SMILESC=CC(=O)OCCCC=CC(F)(F)F
InChIInChI=1S/C9H11F3O2/c1-2-8(13)14-7-5-3-4-6-9(10,11)12/h2,4,6H,1,3,5,7H2
InChIKeyDFAULWODGIGDRW-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
CID 101145209
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
[(Z)-dodec-7-enyl] prop-2-enoate
CID 171776211
11-fluoroundecyl prop-2-enoate
CID 88673047
14-fluorotetradecyl prop-2-enoate
CID 142675259
4-iminobutyl prop-2-enoate
CID 57122491
2-hydroxy-6-prop-2-enoyloxyhex-2-enoic acid
CID 173162722
17-(trifluoromethylsilyl)heptadecyl prop-2-enoate
CID 175896025
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-carbamoyloxypropyl prop-2-enoate
CID 58831010

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluorohex-4-enyl prop-2-enoate?
The IUPAC name of 6,6,6-trifluorohex-4-enyl prop-2-enoate (CID 175221470) is 6,6,6-trifluorohex-4-enyl prop-2-enoate.
What is the SMILES notation for 6,6,6-trifluorohex-4-enyl prop-2-enoate?
The canonical SMILES for 6,6,6-trifluorohex-4-enyl prop-2-enoate is C=CC(=O)OCCCC=CC(F)(F)F.
What is the InChIKey of 6,6,6-trifluorohex-4-enyl prop-2-enoate?
The InChIKey is DFAULWODGIGDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c1-2-8(13)14-7-5-3-4-6-9(10,11)12/h2,4,6H,1,3,5,7H2.
What are the key properties of 6,6,6-trifluorohex-4-enyl prop-2-enoate?
6,6,6-trifluorohex-4-enyl prop-2-enoate has a molecular weight of 208.18 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluorohex-4-enyl prop-2-enoate is sourced from PubChem (CID 175221470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).