fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane

C13H25F9O2 — CID 91439209

IUPACfluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane
SMILESC=CC(=O)COCF.CCF.CCF.CF.CF.FCC(F)(F)F
InChIInChI=1S/C5H7FO2.C2H2F4.2C2H5F.2CH3F/c1-2-5(7)3-8-4-6;3-1-2(4,5)6;2*1-2-3;2*1-2/h2H,1,3-4H2;1H2;2*2H2,1H3;2*1H3
InChIKeyGNYTULPZJXBZLD-UHFFFAOYSA-N
MW384.32 g/mol
LogP5.33
Rot. Bonds4

About fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane

fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane (PubChem CID 91439209) has the molecular formula C13H25F9O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Namefluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane
PubChem CID91439209
Molecular FormulaC13H25F9O2
Molecular Weight384.32 g/mol
Exact Mass384.17
IUPAC Namefluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane
SMILESC=CC(=O)COCF.CCF.CCF.CF.CF.FCC(F)(F)F
InChIInChI=1S/C5H7FO2.C2H2F4.2C2H5F.2CH3F/c1-2-5(7)3-8-4-6;3-1-2(4,5)6;2*1-2-3;2*1-2/h2H,1,3-4H2;1H2;2*2H2,1H3;2*1H3
InChIKeyGNYTULPZJXBZLD-UHFFFAOYSA-N
XLogP5.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.32
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane with MolForge

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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-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
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
1-(2,2,2-Trifluoroethoxy)but-3-en-2-one
CID 103214206
1-(2,2,3,3-Tetrafluoropropoxy)but-3-en-2-one
CID 103473719
1-[3-(1,1-Difluoro-2-oxobut-3-enoxy)propoxy]-1,1-difluorobut-3-en-2-one
CID 162215109
Ethane;1-ethenoxybut-3-en-2-one;methane
CID 143706209

Frequently Asked Questions

What is the IUPAC name of fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane?
The IUPAC name of fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane (CID 91439209) is fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane?
The canonical SMILES for fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane is C=CC(=O)COCF.CCF.CCF.CF.CF.FCC(F)(F)F.
What is the InChIKey of fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane?
The InChIKey is GNYTULPZJXBZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2.C2H2F4.2C2H5F.2CH3F/c1-2-5(7)3-8-4-6;3-1-2(4,5)6;2*1-2-3;2*1-2/h2H,1,3-4H2;1H2;2*2H2,1H3;2*1H3.
What are the key properties of fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane?
fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane has a molecular weight of 384.32 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoroethane;fluoromethane;1-(fluoromethoxy)but-3-en-2-one;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 91439209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).