CID 175934672

C8H10F2N2NaO5S — CID 175934672

IUPAC—
SMILESCC(F)(F)[C@@]12CC[C@@H]3CN1C(=O)N3OS(=O)(=O)O2.[Na]
InChIInChI=1S/C8H10F2N2O5S.Na/c1-7(9,10)8-3-2-5-4-11(8)6(13)12(5)17-18(14,15)16-8;/h5H,2-4H2,1H3;/t5-,8+;/m1./s1
InChIKeyMLPKAYNEFNFLOF-VJTHFYIZSA-N
MW307.23 g/mol
LogP0.06
Rot. Bonds1

About CID 175934672

CID 175934672 (PubChem CID 175934672) has the molecular formula C8H10F2N2NaO5S and a molecular weight of 307.23 g/mol.

Molecular Properties

Compound NameCID 175934672
PubChem CID175934672
Molecular FormulaC8H10F2N2NaO5S
Molecular Weight307.23 g/mol
Exact Mass307.02
IUPAC Name—
SMILESCC(F)(F)[C@@]12CC[C@@H]3CN1C(=O)N3OS(=O)(=O)O2.[Na]
InChIInChI=1S/C8H10F2N2O5S.Na/c1-7(9,10)8-3-2-5-4-11(8)6(13)12(5)17-18(14,15)16-8;/h5H,2-4H2,1H3;/t5-,8+;/m1./s1
InChIKeyMLPKAYNEFNFLOF-VJTHFYIZSA-N
XLogP0.06
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;[(2S,5R)-2-(1,1-difluoroethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 159050913
sodium [(2S,5S)-2-(1,1-difluoroethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 175925382
CID 175934656
CID 175934656
CID 175934659
CID 175934659
CID 175934662
CID 175934662
CID 175934677
CID 175934677
(7S,10R)-5,5-dioxo-7-(trifluoromethyl)-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934660
(7S,10R)-7-(1,1-difluoro-2-methoxyethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934663
(7R,10R)-7-fluoro-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934667
(7S,10R)-7-(fluoromethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934669
(7S,10R)-7-(difluoromethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934671
(7S,10R)-7-(1,1-difluoroethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934673

Frequently Asked Questions

What is the IUPAC name of CID 175934672?
The IUPAC name of CID 175934672 (CID 175934672) is not available.
What is the SMILES notation for CID 175934672?
The canonical SMILES for CID 175934672 is CC(F)(F)[C@@]12CC[C@@H]3CN1C(=O)N3OS(=O)(=O)O2.[Na].
What is the InChIKey of CID 175934672?
The InChIKey is MLPKAYNEFNFLOF-VJTHFYIZSA-N. The full InChI is InChI=1S/C8H10F2N2O5S.Na/c1-7(9,10)8-3-2-5-4-11(8)6(13)12(5)17-18(14,15)16-8;/h5H,2-4H2,1H3;/t5-,8+;/m1./s1.
What are the key properties of CID 175934672?
CID 175934672 has a molecular weight of 307.23 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175934672 is sourced from PubChem (CID 175934672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).