CID 14687560

C9F19O3S — CID 14687560

IUPAC—
SMILESO=S(=O)(F)OC(F)([C](C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F19O3S/c10-2(5(13,14)15,6(16,17)18)1(3(11,7(19,20)21)8(22,23)24)4(12,9(25,26)27)31-32(28,29)30
InChIKeyASLNMBGTSAHBIN-UHFFFAOYSA-N
MW549.12 g/mol
LogP5.69
Rot. Bonds5

About CID 14687560

CID 14687560 (PubChem CID 14687560) has the molecular formula C9F19O3S and a molecular weight of 549.12 g/mol.

Molecular Properties

Compound NameCID 14687560
PubChem CID14687560
Molecular FormulaC9F19O3S
Molecular Weight549.12 g/mol
Exact Mass548.93
IUPAC Name—
SMILESO=S(=O)(F)OC(F)([C](C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9F19O3S/c10-2(5(13,14)15,6(16,17)18)1(3(11,7(19,20)21)8(22,23)24)4(12,9(25,26)27)31-32(28,29)30
InChIKeyASLNMBGTSAHBIN-UHFFFAOYSA-N
XLogP5.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.12
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,2,2-tetrafluoro-1,2-bis(fluorosulfonyloxy)ethane
CID 12665878
2-[difluoro(fluorosulfonyloxy)methyl]-3,3-difluoro-3-fluorosulfonyloxyprop-1-ene
CID 10471472
2-fluoro-2-fluorosulfonyloxypropane
CID 88649659
2,3,3,3-tetrafluoro-2-(fluorosulfonylmethoxy)propanoyl fluoride
CID 158427850
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
fluorosulfonyl hypobromite
CID 13267198
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride
CID 98110115
1,1,1,2,4,5,5,5-octafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-[1,1,1,2,4,5,5,5-octafluoro-3-oxo-4-(trifluoromethyl)pentan-2-yl]oxybutoxy]-4-(trifluoromethyl)pentan-3-one
CID 88530414
bis[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl] sulfate
CID 87154608
potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoate
CID 23694417
CID 170997250
CID 170997250
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) hydrogen sulfate
CID 87625622

Frequently Asked Questions

What is the IUPAC name of CID 14687560?
The IUPAC name of CID 14687560 (CID 14687560) is not available.
What is the SMILES notation for CID 14687560?
The canonical SMILES for CID 14687560 is O=S(=O)(F)OC(F)([C](C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of CID 14687560?
The InChIKey is ASLNMBGTSAHBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F19O3S/c10-2(5(13,14)15,6(16,17)18)1(3(11,7(19,20)21)8(22,23)24)4(12,9(25,26)27)31-32(28,29)30.
What are the key properties of CID 14687560?
CID 14687560 has a molecular weight of 549.12 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14687560 is sourced from PubChem (CID 14687560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).