4-fluorobutylsulfamic acid

C4H10FNO3S — CID 163287147

IUPAC4-fluorobutylsulfamic acid
SMILESO=S(=O)(O)NCCCCF
InChIInChI=1S/C4H10FNO3S/c5-3-1-2-4-6-10(7,8)9/h6H,1-4H2,(H,7,8,9)
InChIKeyHURZWSQXWOJOHS-UHFFFAOYSA-N
MW171.19 g/mol
LogP0.13
Rot. Bonds5

About 4-fluorobutylsulfamic acid

4-fluorobutylsulfamic acid (PubChem CID 163287147) has the molecular formula C4H10FNO3S and a molecular weight of 171.19 g/mol. Its IUPAC name is 4-fluorobutylsulfamic acid.

Molecular Properties

Compound Name4-fluorobutylsulfamic acid
PubChem CID163287147
Molecular FormulaC4H10FNO3S
Molecular Weight171.19 g/mol
Exact Mass171.04
IUPAC Name4-fluorobutylsulfamic acid
SMILESO=S(=O)(O)NCCCCF
InChIInChI=1S/C4H10FNO3S/c5-3-1-2-4-6-10(7,8)9/h6H,1-4H2,(H,7,8,9)
InChIKeyHURZWSQXWOJOHS-UHFFFAOYSA-N
XLogP0.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

10-hydroxydecylsulfamic acid
CID 151793979
3-silylpropylsulfamic acid
CID 175043710
6-chlorohexylsulfamic acid
CID 139889503
N-(4-fluorobutyl)-4-methylbenzenesulfonamide
CID 10933762
6-methylheptylsulfamic acid
CID 87283481
2-methylsulfanylethylsulfamic acid
CID 174221380
12-fluorododecane-1-sulfonic acid
CID 122480998
sodium;4-fluorobutane-1-sulfonic acid;hydride
CID 173211362
hydroxymethylsulfamic acid
CID 23160175
potassium;1-fluorooctane;hydride;sulfuric acid
CID 173036344
1-fluoro-5-(sulfinoamino)pentane
CID 91169380
sodium;3,3-dimethylbutylsulfamic acid;hydride
CID 173075108

Frequently Asked Questions

What is the IUPAC name of 4-fluorobutylsulfamic acid?
The IUPAC name of 4-fluorobutylsulfamic acid (CID 163287147) is 4-fluorobutylsulfamic acid.
What is the SMILES notation for 4-fluorobutylsulfamic acid?
The canonical SMILES for 4-fluorobutylsulfamic acid is O=S(=O)(O)NCCCCF.
What is the InChIKey of 4-fluorobutylsulfamic acid?
The InChIKey is HURZWSQXWOJOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FNO3S/c5-3-1-2-4-6-10(7,8)9/h6H,1-4H2,(H,7,8,9).
What are the key properties of 4-fluorobutylsulfamic acid?
4-fluorobutylsulfamic acid has a molecular weight of 171.19 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobutylsulfamic acid is sourced from PubChem (CID 163287147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).