CID 175934662

C9H12F2N2NaO6S — CID 175934662

IUPAC—
SMILESCOCC(F)(F)[C@@]12CC[C@@H]3CN1C(=O)N3OS(=O)(=O)O2.[Na]
InChIInChI=1S/C9H12F2N2O6S.Na/c1-17-5-8(10,11)9-3-2-6-4-12(9)7(14)13(6)19-20(15,16)18-9;/h6H,2-5H2,1H3;/t6-,9+;/m1./s1
InChIKeyPFGIMGKLASSXHG-VNUWRVCDSA-N
MW337.26 g/mol
LogP-0.31
Rot. Bonds3

About CID 175934662

CID 175934662 (PubChem CID 175934662) has the molecular formula C9H12F2N2NaO6S and a molecular weight of 337.26 g/mol.

Molecular Properties

Compound NameCID 175934662
PubChem CID175934662
Molecular FormulaC9H12F2N2NaO6S
Molecular Weight337.26 g/mol
Exact Mass337.03
IUPAC Name—
SMILESCOCC(F)(F)[C@@]12CC[C@@H]3CN1C(=O)N3OS(=O)(=O)O2.[Na]
InChIInChI=1S/C9H12F2N2O6S.Na/c1-17-5-8(10,11)9-3-2-6-4-12(9)7(14)13(6)19-20(15,16)18-9;/h6H,2-5H2,1H3;/t6-,9+;/m1./s1
InChIKeyPFGIMGKLASSXHG-VNUWRVCDSA-N
XLogP-0.31
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S,5R)-2-(1,1-difluoro-2-methoxyethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 150761317
sodium;[(2S,5R)-2-(1,1-difluoro-2-methoxyethyl)-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] sulfate
CID 157737160
CID 175934656
CID 175934656
CID 175934659
CID 175934659
CID 175934672
CID 175934672
CID 175934677
CID 175934677
CID 175934679
CID 175934679
(7S,10R)-5,5-dioxo-7-(trifluoromethoxymethyl)-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934657
(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
(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
(7S,10R)-7-(1,1-difluoro-2-hydroxyethyl)-5,5-dioxo-4,6-dioxa-5lambda6-thia-1,3-diazatricyclo[5.4.0.03,10]undecan-2-one
CID 175934678

Frequently Asked Questions

What is the IUPAC name of CID 175934662?
The IUPAC name of CID 175934662 (CID 175934662) is not available.
What is the SMILES notation for CID 175934662?
The canonical SMILES for CID 175934662 is COCC(F)(F)[C@@]12CC[C@@H]3CN1C(=O)N3OS(=O)(=O)O2.[Na].
What is the InChIKey of CID 175934662?
The InChIKey is PFGIMGKLASSXHG-VNUWRVCDSA-N. The full InChI is InChI=1S/C9H12F2N2O6S.Na/c1-17-5-8(10,11)9-3-2-6-4-12(9)7(14)13(6)19-20(15,16)18-9;/h6H,2-5H2,1H3;/t6-,9+;/m1./s1.
What are the key properties of CID 175934662?
CID 175934662 has a molecular weight of 337.26 g/mol, XLogP of -0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175934662 is sourced from PubChem (CID 175934662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).