fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane

C10H21F5O5S — CID 91573430

IUPACfluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane
SMILESCCCCCOCCC(F)(F)F.CF.O=S(=O)(O)COF
InChIInChI=1S/C8H15F3O.CH3FO4S.CH3F/c1-2-3-4-6-12-7-5-8(9,10)11;2-6-1-7(3,4)5;1-2/h2-7H2,1H3;1H2,(H,3,4,5);1H3
InChIKeyDGDPNSXKIGFUGS-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.46
Rot. Bonds8

About fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane

fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane (PubChem CID 91573430) has the molecular formula C10H21F5O5S and a molecular weight of 348.33 g/mol. Its IUPAC name is fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane.

Molecular Properties

Compound Namefluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane
PubChem CID91573430
Molecular FormulaC10H21F5O5S
Molecular Weight348.33 g/mol
Exact Mass348.10
IUPAC Namefluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane
SMILESCCCCCOCCC(F)(F)F.CF.O=S(=O)(O)COF
InChIInChI=1S/C8H15F3O.CH3FO4S.CH3F/c1-2-3-4-6-12-7-5-8(9,10)11;2-6-1-7(3,4)5;1-2/h2-7H2,1H3;1H2,(H,3,4,5);1H3
InChIKeyDGDPNSXKIGFUGS-UHFFFAOYSA-N
XLogP3.46
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
1-pentoxypentane;pentyl hypofluorite
CID 174949385
3-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 59638865
azane;sulfuric acid;1-undecoxyundecane
CID 174702560
N-ethyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958004
potassium;hydride;1-octadecoxyoctadecane;sulfuric acid
CID 173372797
3-butoxy-1,1-difluoropropan-1-ol
CID 164768112
sodium;hydride;sulfuric acid;1-tetradecoxytetradecane
CID 173005905
1-butoxyoctane;sulfuric acid;zinc
CID 175286221
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
CID 175793636
1,1,1-trifluoro-4-pentoxy-2,2-bis(trifluoromethyl)butane
CID 172565145

Frequently Asked Questions

What is the IUPAC name of fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane?
The IUPAC name of fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane (CID 91573430) is fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane.
What is the SMILES notation for fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane?
The canonical SMILES for fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane is CCCCCOCCC(F)(F)F.CF.O=S(=O)(O)COF.
What is the InChIKey of fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane?
The InChIKey is DGDPNSXKIGFUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O.CH3FO4S.CH3F/c1-2-3-4-6-12-7-5-8(9,10)11;2-6-1-7(3,4)5;1-2/h2-7H2,1H3;1H2,(H,3,4,5);1H3.
What are the key properties of fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane?
fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane has a molecular weight of 348.33 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;fluorooxymethanesulfonic acid;1-(3,3,3-trifluoropropoxy)pentane is sourced from PubChem (CID 91573430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).