1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite

C15H29F17O5S — CID 158817441

IUPAC1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite
SMILESC.C.C.C.CC(F)(F)C(F)(F)C(F)(F)F.CCOC(F)(F)CC(F)(F)F.FCC(F)(F)OF.O=S(=O)(O)F
InChIInChI=1S/C5H7F5O.C4H3F7.C2H2F4O.4CH4.FHO3S/c1-2-11-5(9,10)3-4(6,7)8;1-2(5,6)3(7,8)4(9,10)11;3-1-2(4,5)7-6;;;;;1-5(2,3)4/h2-3H2,1H3;1H3;1H2;4*1H4;(H,2,3,4)
InChIKeyIVLCNBCUHLKITQ-UHFFFAOYSA-N
MW644.42 g/mol
LogP9.16
Rot. Bonds6

About 1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite

1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite (PubChem CID 158817441) has the molecular formula C15H29F17O5S and a molecular weight of 644.42 g/mol. Its IUPAC name is 1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite.

Molecular Properties

Compound Name1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite
PubChem CID158817441
Molecular FormulaC15H29F17O5S
Molecular Weight644.42 g/mol
Exact Mass644.15
IUPAC Name1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite
SMILESC.C.C.C.CC(F)(F)C(F)(F)C(F)(F)F.CCOC(F)(F)CC(F)(F)F.FCC(F)(F)OF.O=S(=O)(O)F
InChIInChI=1S/C5H7F5O.C4H3F7.C2H2F4O.4CH4.FHO3S/c1-2-11-5(9,10)3-4(6,7)8;1-2(5,6)3(7,8)4(9,10)11;3-1-2(4,5)7-6;;;;;1-5(2,3)4/h2-3H2,1H3;1H3;1H2;4*1H4;(H,2,3,4)
InChIKeyIVLCNBCUHLKITQ-UHFFFAOYSA-N
XLogP9.16
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.42
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

difluoromethane;fluoromethane;fluoromethyl hypofluorite;methane;1,1,1,3,3-pentafluoro-3-(2,2,2-trifluoroethoxy)propane;sulfurofluoridic acid;1,2,2-trifluoropropane
CID 159473571
bis(difluoromethane);fluoroethane;fluoromethane;1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane;sulfurofluoridic acid;1,1,2-trifluoro-1-(fluoromethoxy)ethane
CID 158390889
3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 126575026
1,1,3,3,3-pentafluoropropyl hypofluorite
CID 22094285
bis(difluoromethane);1,3-difluoropropane;fluoroethane;fluoromethane;fluoromethyl hypofluorite;methane;sulfurofluoridic acid;1,1,1,2-tetrafluoroethane
CID 160875126
fluoroethane;fluoromethane;fluorooxymethanesulfonic acid;1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane;1,1,1,3-tetrafluoropropan-2-yloxymethanesulfonic acid
CID 158740018
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane;1,1,1,3,3-pentafluoro-3-(1,2,2-trifluoroethenoxy)propane;tetrakis(sulfuryl difluoride);1,1,2-trifluoroethyl hypofluorite;1,1,2-trifluoro-1-(1,2,2-trifluoroethenoxy)ethane;2,3,3-trifluoro-3-(1,1,2-trifluoroethoxy)prop-1-ene
CID 157479016
2,2,3,4,4,5,5-heptafluorohexan-3-yloxymethanesulfonic acid
CID 87982418
(1,1-difluoro-2-hydroxyethyl) hypofluorite;difluoromethane;2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethanol;2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethanol;1,1,1,3,3,3-hexafluoropropane;methane;1,2,2-trifluoropropane
CID 158178296
3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
CID 19761961
1-ethoxy-1,1,2,2,3,3-hexafluorobutane
CID 152519204
1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane
CID 58114569

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite?
The IUPAC name of 1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite (CID 158817441) is 1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite.
What is the SMILES notation for 1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite?
The canonical SMILES for 1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite is C.C.C.C.CC(F)(F)C(F)(F)C(F)(F)F.CCOC(F)(F)CC(F)(F)F.FCC(F)(F)OF.O=S(=O)(O)F.
What is the InChIKey of 1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite?
The InChIKey is IVLCNBCUHLKITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O.C4H3F7.C2H2F4O.4CH4.FHO3S/c1-2-11-5(9,10)3-4(6,7)8;1-2(5,6)3(7,8)4(9,10)11;3-1-2(4,5)7-6;;;;;1-5(2,3)4/h2-3H2,1H3;1H3;1H2;4*1H4;(H,2,3,4).
What are the key properties of 1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite?
1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite has a molecular weight of 644.42 g/mol, XLogP of 9.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,3,3,3-pentafluoropropane;1,1,1,2,2,3,3-heptafluorobutane;methane;sulfurofluoridic acid;1,1,2-trifluoroethyl hypofluorite is sourced from PubChem (CID 158817441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).