5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one

C10H14F4O2 — CID 103473788

IUPAC5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one
SMILESC=C(C)CCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H14F4O2/c1-7(2)3-4-8(15)5-16-6-10(13,14)9(11)12/h9H,1,3-6H2,2H3
InChIKeyAENHXHQTMQKWMN-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.83
Rot. Bonds8

About 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one

5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one (PubChem CID 103473788) has the molecular formula C10H14F4O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one.

Molecular Properties

Compound Name5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one
PubChem CID103473788
Molecular FormulaC10H14F4O2
Molecular Weight242.21 g/mol
Exact Mass242.09
IUPAC Name5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one
SMILESC=C(C)CCC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H14F4O2/c1-7(2)3-4-8(15)5-16-6-10(13,14)9(11)12/h9H,1,3-6H2,2H3
InChIKeyAENHXHQTMQKWMN-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-one
CID 103146804
1-(2,2-Difluoroethoxy)-5-methylhex-5-en-3-one
CID 103147075
1-(2,2,2-Trifluoroethoxy)hept-6-en-2-one
CID 103214140
4-Methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-one
CID 103214222
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
1-(2,2,3,3-Tetrafluoropropoxy)hept-6-en-2-one
CID 103473676
4-Methylidene-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473680
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanone
CID 103473685
4-Methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-one
CID 103473838
1-Methoxy-5-methylhex-5-en-2-one
CID 62319632
1-Ethoxy-4-methylidenehexan-2-one
CID 66043849

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one?
The IUPAC name of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one (CID 103473788) is 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one.
What is the SMILES notation for 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one?
The canonical SMILES for 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one is C=C(C)CCC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one?
The InChIKey is AENHXHQTMQKWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O2/c1-7(2)3-4-8(15)5-16-6-10(13,14)9(11)12/h9H,1,3-6H2,2H3.
What are the key properties of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one?
5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one has a molecular weight of 242.21 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-one is sourced from PubChem (CID 103473788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).