CID 161129435

C5H8F2N2O3S — CID 161129435

IUPAC—
SMILESCOc1nc[nH]c1OC.O=S(F)F
InChIInChI=1S/C5H8N2O2.F2OS/c1-8-4-5(9-2)7-3-6-4;1-4(2)3/h3H,1-2H3,(H,6,7);
InChIKeyULZHASJQBXAMLX-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.93
Rot. Bonds2

About CID 161129435

CID 161129435 (PubChem CID 161129435) has the molecular formula C5H8F2N2O3S and a molecular weight of 214.19 g/mol.

Molecular Properties

Compound NameCID 161129435
PubChem CID161129435
Molecular FormulaC5H8F2N2O3S
Molecular Weight214.19 g/mol
Exact Mass214.02
IUPAC Name—
SMILESCOc1nc[nH]c1OC.O=S(F)F
InChIInChI=1S/C5H8N2O2.F2OS/c1-8-4-5(9-2)7-3-6-4;1-4(2)3/h3H,1-2H3,(H,6,7);
InChIKeyULZHASJQBXAMLX-UHFFFAOYSA-N
XLogP0.93
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 161129435?
The IUPAC name of CID 161129435 (CID 161129435) is not available.
What is the SMILES notation for CID 161129435?
The canonical SMILES for CID 161129435 is COc1nc[nH]c1OC.O=S(F)F.
What is the InChIKey of CID 161129435?
The InChIKey is ULZHASJQBXAMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2.F2OS/c1-8-4-5(9-2)7-3-6-4;1-4(2)3/h3H,1-2H3,(H,6,7);.
What are the key properties of CID 161129435?
CID 161129435 has a molecular weight of 214.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161129435 is sourced from PubChem (CID 161129435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).