3-fluoropropyl N-sulfonylcarbamate

C4H6FNO4S — CID 175211437

IUPAC3-fluoropropyl N-sulfonylcarbamate
SMILESO=C(N=S(=O)=O)OCCCF
InChIInChI=1S/C4H6FNO4S/c5-2-1-3-10-4(7)6-11(8)9/h1-3H2
InChIKeyAGULFJKQUNNWLT-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.55
Rot. Bonds3

About 3-fluoropropyl N-sulfonylcarbamate

3-fluoropropyl N-sulfonylcarbamate (PubChem CID 175211437) has the molecular formula C4H6FNO4S and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-fluoropropyl N-sulfonylcarbamate.

Molecular Properties

Compound Name3-fluoropropyl N-sulfonylcarbamate
PubChem CID175211437
Molecular FormulaC4H6FNO4S
Molecular Weight183.16 g/mol
Exact Mass183.00
IUPAC Name3-fluoropropyl N-sulfonylcarbamate
SMILESO=C(N=S(=O)=O)OCCCF
InChIInChI=1S/C4H6FNO4S/c5-2-1-3-10-4(7)6-11(8)9/h1-3H2
InChIKeyAGULFJKQUNNWLT-UHFFFAOYSA-N
XLogP0.55
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 19783933
2-chloroethyl N-methylidenecarbamate
CID 55302938
bis(3-fluoropropyl) (2S)-2-aminopentanedioate
CID 174597641
[(2S)-butan-2-yl] 3-fluoropropyl carbonate
CID 99769683
(E)-2-(3-fluoropropoxy)but-2-ene
CID 142369968
potassium 3-fluoropropyl sulfite
CID 174672463
11-fluoroundecyl prop-2-enoate
CID 88673047
14-fluorotetradecyl prop-2-enoate
CID 142675259
10-fluorodecyl 2-phosphanyloxypropanoate
CID 19783989
3-fluoropropane-1-sulfinamide
CID 165453633
bis(1-fluoro-3-(3-fluoropropoxy)propane);hydrate
CID 174856263
3-fluoropropyl 4-amino-2-fluorobenzoate
CID 81113664

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl N-sulfonylcarbamate?
The IUPAC name of 3-fluoropropyl N-sulfonylcarbamate (CID 175211437) is 3-fluoropropyl N-sulfonylcarbamate.
What is the SMILES notation for 3-fluoropropyl N-sulfonylcarbamate?
The canonical SMILES for 3-fluoropropyl N-sulfonylcarbamate is O=C(N=S(=O)=O)OCCCF.
What is the InChIKey of 3-fluoropropyl N-sulfonylcarbamate?
The InChIKey is AGULFJKQUNNWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO4S/c5-2-1-3-10-4(7)6-11(8)9/h1-3H2.
What are the key properties of 3-fluoropropyl N-sulfonylcarbamate?
3-fluoropropyl N-sulfonylcarbamate has a molecular weight of 183.16 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl N-sulfonylcarbamate is sourced from PubChem (CID 175211437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).