1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one

C10H14F4O2 — CID 103473676

IUPAC1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one
SMILESC=CCCCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H14F4O2/c1-2-3-4-5-8(15)6-16-7-10(13,14)9(11)12/h2,9H,1,3-7H2
InChIKeyPZDFFCWHCCFKCA-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.83
Rot. Bonds9

About 1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one

1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one (PubChem CID 103473676) has the molecular formula C10H14F4O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one
PubChem CID103473676
Molecular FormulaC10H14F4O2
Molecular Weight242.21 g/mol
Exact Mass242.09
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one
SMILESC=CCCCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H14F4O2/c1-2-3-4-5-8(15)6-16-7-10(13,14)9(11)12/h2,9H,1,3-7H2
InChIKeyPZDFFCWHCCFKCA-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.83
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 3,3-difluoro-2-oxohex-5-enoate
CID 11790025
1-(2,2,2-Trifluoroethoxy)hept-6-en-3-one
CID 103146921
1-(2,2-Difluoroethoxy)hept-6-en-3-one
CID 103147241
1-(2,2,2-Trifluoroethoxy)hept-6-en-2-one
CID 103214140
1-(2,2,2-Trifluoroethoxy)hex-5-en-2-one
CID 103214142
4-Methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-one
CID 103214228
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-one
CID 103214382
4-Methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473680
1-(2,2,3,3-Tetrafluoropropoxy)pent-4-en-2-one
CID 103473746
5-Methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one
CID 103473788
1-(2,2,3,3-Tetrafluoropropoxy)hex-5-en-2-one
CID 103473832
1-(2,2,2-Trifluoroethoxy)non-8-en-2-one
CID 107008459

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one (CID 103473676) is 1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one is C=CCCCC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one?
The InChIKey is PZDFFCWHCCFKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O2/c1-2-3-4-5-8(15)6-16-7-10(13,14)9(11)12/h2,9H,1,3-7H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one?
1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one has a molecular weight of 242.21 g/mol, XLogP of 2.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-one is sourced from PubChem (CID 103473676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).