1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one

C7H8F4O2 — CID 103473719

IUPAC1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one
SMILESC=CC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C7H8F4O2/c1-2-5(12)3-13-4-7(10,11)6(8)9/h2,6H,1,3-4H2
InChIKeyNZCLNKNRXAFZCO-UHFFFAOYSA-N
MW200.13 g/mol
LogP1.66
Rot. Bonds6

About 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one

1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one (PubChem CID 103473719) has the molecular formula C7H8F4O2 and a molecular weight of 200.13 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one
PubChem CID103473719
Molecular FormulaC7H8F4O2
Molecular Weight200.13 g/mol
Exact Mass200.05
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one
SMILESC=CC(=O)COCC(F)(F)C(F)F
InChIInChI=1S/C7H8F4O2/c1-2-5(12)3-13-4-7(10,11)6(8)9/h2,6H,1,3-4H2
InChIKeyNZCLNKNRXAFZCO-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Fluoroethoxy)but-3-en-2-one
CID 57676253
1-(Trifluoromethoxy)but-3-en-2-one
CID 59097408
1-(Fluoromethoxy)but-3-en-2-one
CID 59816440
1-Ethoxy-4,4-difluorobut-3-en-2-one
CID 87422469
1-(1,1,2-Trifluoroethoxy)but-3-en-2-one
CID 89187449
1-Butan-2-yloxybut-3-en-2-one;fluoromethane;1,1,1-trifluorobutane
CID 91236008
Fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane
CID 91439209
1-(2,2,4,4-Tetrafluorooxetan-3-yl)oxybut-3-en-2-one
CID 118482954
1-(2,2-Difluorooxetan-3-yl)oxybut-3-en-2-one
CID 118482975
1-(Difluoromethoxy)but-3-en-2-one
CID 166878518
(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one
CID 167252091
1-Ethoxy-1,1,4-trifluorobut-3-en-2-one
CID 175207558

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one (CID 103473719) is 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one is C=CC(=O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one?
The InChIKey is NZCLNKNRXAFZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O2/c1-2-5(12)3-13-4-7(10,11)6(8)9/h2,6H,1,3-4H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one?
1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-one has a molecular weight of 200.13 g/mol, XLogP of 1.66, 6 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)but-3-en-2-one is sourced from PubChem (CID 103473719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).