1-fluoro-1-(sulfinoamino)pentane

C5H12FNO2S — CID 174504934

IUPAC1-fluoro-1-(sulfinoamino)pentane
SMILESCCCCC(F)NS(=O)O
InChIInChI=1S/C5H12FNO2S/c1-2-3-4-5(6)7-10(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyFAMORKOHGURRFM-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.20
Rot. Bonds5

About 1-fluoro-1-(sulfinoamino)pentane

1-fluoro-1-(sulfinoamino)pentane (PubChem CID 174504934) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-fluoro-1-(sulfinoamino)pentane.

Molecular Properties

Compound Name1-fluoro-1-(sulfinoamino)pentane
PubChem CID174504934
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC Name1-fluoro-1-(sulfinoamino)pentane
SMILESCCCCC(F)NS(=O)O
InChIInChI=1S/C5H12FNO2S/c1-2-3-4-5(6)7-10(8)9/h5,7H,2-4H2,1H3,(H,8,9)
InChIKeyFAMORKOHGURRFM-UHFFFAOYSA-N
XLogP1.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

Hexylsulfamic acid
CID 204300
N-amylsulfamic acid
CID 15894851
1-Fluorobutylsulfamic acid
CID 20542132
1-Fluorohexylsulfamic acid
CID 57229371
1-Fluoropentylsulfamic acid
CID 57239543
1-Fluoroheptylsulfamic acid
CID 57274838
1-Fluoro-6-(sulfinatoamino)hexane
CID 90973735
1-Fluoro-5-(sulfinatoamino)pentane
CID 91169379
4-Fluorobutylsulfamic acid
CID 163287147
1-Fluoro-1-(sulfinatoamino)pentane
CID 174504933
1-Fluoro-6-(sulfinoamino)hexane
CID 90973736
1-Fluoro-5-(sulfinoamino)pentane
CID 91169380

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(sulfinoamino)pentane?
The IUPAC name of 1-fluoro-1-(sulfinoamino)pentane (CID 174504934) is 1-fluoro-1-(sulfinoamino)pentane.
What is the SMILES notation for 1-fluoro-1-(sulfinoamino)pentane?
The canonical SMILES for 1-fluoro-1-(sulfinoamino)pentane is CCCCC(F)NS(=O)O.
What is the InChIKey of 1-fluoro-1-(sulfinoamino)pentane?
The InChIKey is FAMORKOHGURRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-2-3-4-5(6)7-10(8)9/h5,7H,2-4H2,1H3,(H,8,9).
What are the key properties of 1-fluoro-1-(sulfinoamino)pentane?
1-fluoro-1-(sulfinoamino)pentane has a molecular weight of 169.22 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(sulfinoamino)pentane is sourced from PubChem (CID 174504934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).