1-fluoro-3-(sulfinoamino)propane

C3H8FNO2S — CID 91582885

IUPAC1-fluoro-3-(sulfinoamino)propane
SMILESO=S(O)NCCCF
InChIInChI=1S/C3H8FNO2S/c4-2-1-3-5-8(6)7/h5H,1-3H2,(H,6,7)
InChIKeyBJADDCUVRHXQCH-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.07
Rot. Bonds4

About 1-fluoro-3-(sulfinoamino)propane

1-fluoro-3-(sulfinoamino)propane (PubChem CID 91582885) has the molecular formula C3H8FNO2S and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-fluoro-3-(sulfinoamino)propane.

Molecular Properties

Compound Name1-fluoro-3-(sulfinoamino)propane
PubChem CID91582885
Molecular FormulaC3H8FNO2S
Molecular Weight141.17 g/mol
Exact Mass141.03
IUPAC Name1-fluoro-3-(sulfinoamino)propane
SMILESO=S(O)NCCCF
InChIInChI=1S/C3H8FNO2S/c4-2-1-3-5-8(6)7/h5H,1-3H2,(H,6,7)
InChIKeyBJADDCUVRHXQCH-UHFFFAOYSA-N
XLogP0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Propylsulfamic acid
CID 14979915
3,3,3-Trifluoropropylsulfamic acid
CID 17804131
1-Fluoropropylsulfamic acid
CID 20542120
1-Fluorobutylsulfamic acid
CID 20542132
2-Fluoroethylsulfamic acid
CID 20542143
1-Fluoroethylsulfamic acid
CID 57123348
1-Fluoro-4-(sulfinatoamino)butane
CID 91453950
1-Fluoro-3-(sulfinatoamino)propane
CID 91582884
4-Fluorobutylsulfamic acid
CID 163287147
1,1,1-Trifluoro-3-(sulfinoamino)propane
CID 17933132
1-Fluoro-2-(sulfinoamino)ethane
CID 90749594
1-Fluoro-5-(sulfinoamino)pentane
CID 91169380

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(sulfinoamino)propane?
The IUPAC name of 1-fluoro-3-(sulfinoamino)propane (CID 91582885) is 1-fluoro-3-(sulfinoamino)propane.
What is the SMILES notation for 1-fluoro-3-(sulfinoamino)propane?
The canonical SMILES for 1-fluoro-3-(sulfinoamino)propane is O=S(O)NCCCF.
What is the InChIKey of 1-fluoro-3-(sulfinoamino)propane?
The InChIKey is BJADDCUVRHXQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO2S/c4-2-1-3-5-8(6)7/h5H,1-3H2,(H,6,7).
What are the key properties of 1-fluoro-3-(sulfinoamino)propane?
1-fluoro-3-(sulfinoamino)propane has a molecular weight of 141.17 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(sulfinoamino)propane is sourced from PubChem (CID 91582885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).