1-fluoro-5-(sulfinatoamino)pentane

C5H11FNO2S- — CID 91169379

IUPAC1-fluoro-5-(sulfinatoamino)pentane
SMILESO=S([O-])NCCCCCF
InChIInChI=1S/C5H12FNO2S/c6-4-2-1-3-5-7-10(8)9/h7H,1-5H2,(H,8,9)/p-1
InChIKeyVOKMIACPQQOMFH-UHFFFAOYSA-M
MW168.21 g/mol
LogP0.51
Rot. Bonds6

About 1-fluoro-5-(sulfinatoamino)pentane

1-fluoro-5-(sulfinatoamino)pentane (PubChem CID 91169379) has the molecular formula C5H11FNO2S- and a molecular weight of 168.21 g/mol. Its IUPAC name is 1-fluoro-5-(sulfinatoamino)pentane.

Molecular Properties

Compound Name1-fluoro-5-(sulfinatoamino)pentane
PubChem CID91169379
Molecular FormulaC5H11FNO2S-
Molecular Weight168.21 g/mol
Exact Mass168.05
IUPAC Name1-fluoro-5-(sulfinatoamino)pentane
SMILESO=S([O-])NCCCCCF
InChIInChI=1S/C5H12FNO2S/c6-4-2-1-3-5-7-10(8)9/h7H,1-5H2,(H,8,9)/p-1
InChIKeyVOKMIACPQQOMFH-UHFFFAOYSA-M
XLogP0.51
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-pentylsulfamoyl fluoride
CID 54297482
1-Fluoropentylsulfamic acid
CID 57239543
1-Fluoro-6-(sulfinatoamino)hexane
CID 90973735
1-Fluoro-4-(sulfinatoamino)butane
CID 91453950
1-Fluoro-1-(sulfinatoamino)pentane
CID 174504933
1-Fluoro-6-(sulfinoamino)hexane
CID 90973736
1-Fluoro-5-(sulfinoamino)pentane
CID 91169380
1-Fluoro-4-(sulfinoamino)butane
CID 91453951
1,1,1-Trifluoro-5-(sulfamoylamino)pentane
CID 112703664
N-(5,5,5-trifluoropentyl)sulfamoyl chloride
CID 114958444
1-Fluoro-4-(sulfamoylamino)butane
CID 130592975
1-Fluoro-1-(sulfinoamino)pentane
CID 174504934

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-(sulfinatoamino)pentane?
The IUPAC name of 1-fluoro-5-(sulfinatoamino)pentane (CID 91169379) is 1-fluoro-5-(sulfinatoamino)pentane.
What is the SMILES notation for 1-fluoro-5-(sulfinatoamino)pentane?
The canonical SMILES for 1-fluoro-5-(sulfinatoamino)pentane is O=S([O-])NCCCCCF.
What is the InChIKey of 1-fluoro-5-(sulfinatoamino)pentane?
The InChIKey is VOKMIACPQQOMFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H12FNO2S/c6-4-2-1-3-5-7-10(8)9/h7H,1-5H2,(H,8,9)/p-1.
What are the key properties of 1-fluoro-5-(sulfinatoamino)pentane?
1-fluoro-5-(sulfinatoamino)pentane has a molecular weight of 168.21 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-(sulfinatoamino)pentane is sourced from PubChem (CID 91169379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).