1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate

C10H12F10O4 — CID 160970563

IUPAC1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCOC(=O)C(F)(F)C(F)(F)F.CCOC(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O2.C5H5F5O2/c2*1-2-12-3(11)4(6,7)5(8,9)10/h3,11H,2H2,1H3;2H2,1H3
InChIKeySYEVPIMLMLAFNU-UHFFFAOYSA-N
MW386.18 g/mol
LogP3.29
Rot. Bonds5

About 1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate

1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 160970563) has the molecular formula C10H12F10O4 and a molecular weight of 386.18 g/mol. Its IUPAC name is 1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID160970563
Molecular FormulaC10H12F10O4
Molecular Weight386.18 g/mol
Exact Mass386.06
IUPAC Name1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCOC(=O)C(F)(F)C(F)(F)F.CCOC(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H7F5O2.C5H5F5O2/c2*1-2-12-3(11)4(6,7)5(8,9)10/h3,11H,2H2,1H3;2H2,1H3
InChIKeySYEVPIMLMLAFNU-UHFFFAOYSA-N
XLogP3.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
CID 526468
ethyl 2-methyl-2-(2,2,3,3,3-pentafluoropropanoyloxymethyl)pentanoate
CID 129082246
ethyl 2,2,3,3,4,4,5,6,7,7-decafluoroheptanoate
CID 87918751
1-O-ethyl 4-O-methyl 2,2,3,3-tetrafluorobutanedioate
CID 15889497
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CID 9897
1-ethoxy-2,2,2-trifluoroethanol;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 89287670
ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate
CID 10846253
diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
ethyl (3S)-3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate
CID 86312455
ethyl 2,2-difluoro-3-hydroxy-3,5-dimethylhexanoate
CID 62398575
1,1-difluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethanesulfonic acid
CID 59266970

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate (CID 160970563) is 1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate is CCOC(=O)C(F)(F)C(F)(F)F.CCOC(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is SYEVPIMLMLAFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O2.C5H5F5O2/c2*1-2-12-3(11)4(6,7)5(8,9)10/h3,11H,2H2,1H3;2H2,1H3.
What are the key properties of 1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate?
1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 386.18 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,2,3,3,3-pentafluoropropan-1-ol;ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 160970563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).