10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one

C14H19F3O2 — CID 123608989

IUPAC10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one
SMILESC=CC=C(C=CCC(F)(F)F)C(=O)CCCCOC
InChIInChI=1S/C14H19F3O2/c1-3-7-12(8-6-10-14(15,16)17)13(18)9-4-5-11-19-2/h3,6-8H,1,4-5,9-11H2,2H3
InChIKeyVETBOFWQPVKEOM-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.99
Rot. Bonds9

About 10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one

10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one (PubChem CID 123608989) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one.

Molecular Properties

Compound Name10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one
PubChem CID123608989
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one
SMILESC=CC=C(C=CCC(F)(F)F)C(=O)CCCCOC
InChIInChI=1S/C14H19F3O2/c1-3-7-12(8-6-10-14(15,16)17)13(18)9-4-5-11-19-2/h3,6-8H,1,4-5,9-11H2,2H3
InChIKeyVETBOFWQPVKEOM-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.99
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z,3E)-3-ethylidene-7,7,7-trifluoro-1-(oxolan-2-yl)hept-4-en-2-one
CID 163836093
3-[5-Oxo-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propyl butanoate
CID 174707112
1-[4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-one
CID 162552535
1-[6-(2-Methoxyethyl)-2-methylcyclohexa-1,5-dien-1-yl]propan-1-one
CID 123928073
(5Z)-3-(3-methoxypropyl)hepta-3,5-dien-2-one
CID 173516535

Frequently Asked Questions

What is the IUPAC name of 10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one?
The IUPAC name of 10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one (CID 123608989) is 10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one.
What is the SMILES notation for 10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one?
The canonical SMILES for 10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one is C=CC=C(C=CCC(F)(F)F)C(=O)CCCCOC.
What is the InChIKey of 10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one?
The InChIKey is VETBOFWQPVKEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-3-7-12(8-6-10-14(15,16)17)13(18)9-4-5-11-19-2/h3,6-8H,1,4-5,9-11H2,2H3.
What are the key properties of 10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one?
10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one has a molecular weight of 276.30 g/mol, XLogP of 3.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,10-trifluoro-1-methoxy-6-prop-2-enylidenedec-7-en-5-one is sourced from PubChem (CID 123608989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).