4-(3-fluoropropyl)-2,2-dimethylthiomorpholine

C9H18FNS — CID 126995601

IUPAC4-(3-fluoropropyl)-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(CCCF)CCS1
InChIInChI=1S/C9H18FNS/c1-9(2)8-11(5-3-4-10)6-7-12-9/h3-8H2,1-2H3
InChIKeyULOJZTCIYFORTJ-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.17
Rot. Bonds3

About 4-(3-fluoropropyl)-2,2-dimethylthiomorpholine

4-(3-fluoropropyl)-2,2-dimethylthiomorpholine (PubChem CID 126995601) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(3-fluoropropyl)-2,2-dimethylthiomorpholine
PubChem CID126995601
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name4-(3-fluoropropyl)-2,2-dimethylthiomorpholine
SMILESCC1(C)CN(CCCF)CCS1
InChIInChI=1S/C9H18FNS/c1-9(2)8-11(5-3-4-10)6-7-12-9/h3-8H2,1-2H3
InChIKeyULOJZTCIYFORTJ-UHFFFAOYSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-2,2-dimethylthiomorpholine?
The IUPAC name of 4-(3-fluoropropyl)-2,2-dimethylthiomorpholine (CID 126995601) is 4-(3-fluoropropyl)-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-(3-fluoropropyl)-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-(3-fluoropropyl)-2,2-dimethylthiomorpholine is CC1(C)CN(CCCF)CCS1.
What is the InChIKey of 4-(3-fluoropropyl)-2,2-dimethylthiomorpholine?
The InChIKey is ULOJZTCIYFORTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-9(2)8-11(5-3-4-10)6-7-12-9/h3-8H2,1-2H3.
What are the key properties of 4-(3-fluoropropyl)-2,2-dimethylthiomorpholine?
4-(3-fluoropropyl)-2,2-dimethylthiomorpholine has a molecular weight of 191.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)-2,2-dimethylthiomorpholine is sourced from PubChem (CID 126995601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).