3-(3-fluoropropyl)-1,3-thiazol-2-one

C6H8FNOS — CID 115706050

IUPAC3-(3-fluoropropyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCCF
InChIInChI=1S/C6H8FNOS/c7-2-1-3-8-4-5-10-6(8)9/h4-5H,1-3H2
InChIKeyIJDXDKYRCFQCFD-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.27
Rot. Bonds3

About 3-(3-fluoropropyl)-1,3-thiazol-2-one

3-(3-fluoropropyl)-1,3-thiazol-2-one (PubChem CID 115706050) has the molecular formula C6H8FNOS and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-fluoropropyl)-1,3-thiazol-2-one
PubChem CID115706050
Molecular FormulaC6H8FNOS
Molecular Weight161.20 g/mol
Exact Mass161.03
IUPAC Name3-(3-fluoropropyl)-1,3-thiazol-2-one
SMILESO=c1sccn1CCCF
InChIInChI=1S/C6H8FNOS/c7-2-1-3-8-4-5-10-6(8)9/h4-5H,1-3H2
InChIKeyIJDXDKYRCFQCFD-UHFFFAOYSA-N
XLogP1.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2,2-Trifluoroethyl)-1,3-thiazol-2-one
CID 115659231
3-(3,3,3-Trifluoropropyl)-1,3-thiazol-2-one
CID 115672986
3-(2,2-Difluoroethyl)-1,3-thiazol-2-one
CID 115749768
3-(2-Fluoroethyl)-1,3-thiazol-2-one
CID 115749769
3-(4,4,4-Trifluorobutyl)-1,3-thiazol-2-one
CID 116622657
3-(2-Fluorobutyl)-1,3-thiazol-2-one
CID 126994849
3-(3,3,3-Trifluoro-2-methylpropyl)-1,3-thiazol-2-one
CID 130618967
3-Ethyl-1,3-thiazol-2-one
CID 13828887
3-Propan-2-yl-1,3-thiazol-2-one
CID 89103066
Ethane;3-methyl-1,3-thiazol-2-one
CID 91228224
3-Propyl-1,3-thiazol-2-one
CID 13828888
3-Butyl-1,3-thiazol-2-one
CID 13828889

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-fluoropropyl)-1,3-thiazol-2-one (CID 115706050) is 3-(3-fluoropropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-fluoropropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-fluoropropyl)-1,3-thiazol-2-one is O=c1sccn1CCCF.
What is the InChIKey of 3-(3-fluoropropyl)-1,3-thiazol-2-one?
The InChIKey is IJDXDKYRCFQCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNOS/c7-2-1-3-8-4-5-10-6(8)9/h4-5H,1-3H2.
What are the key properties of 3-(3-fluoropropyl)-1,3-thiazol-2-one?
3-(3-fluoropropyl)-1,3-thiazol-2-one has a molecular weight of 161.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115706050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).