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

C9H18FNS — CID 127497755

IUPAC4-(3-fluoropropyl)-2,3-dimethylthiomorpholine
SMILESCC1SCCN(CCCF)C1C
InChIInChI=1S/C9H18FNS/c1-8-9(2)12-7-6-11(8)5-3-4-10/h8-9H,3-7H2,1-2H3
InChIKeyFAWLSVXRBNMUJP-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.17
Rot. Bonds3

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

4-(3-fluoropropyl)-2,3-dimethylthiomorpholine (PubChem CID 127497755) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 4-(3-fluoropropyl)-2,3-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(3-fluoropropyl)-2,3-dimethylthiomorpholine
PubChem CID127497755
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name4-(3-fluoropropyl)-2,3-dimethylthiomorpholine
SMILESCC1SCCN(CCCF)C1C
InChIInChI=1S/C9H18FNS/c1-8-9(2)12-7-6-11(8)5-3-4-10/h8-9H,3-7H2,1-2H3
InChIKeyFAWLSVXRBNMUJP-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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Related Compounds

4-Methyl-3-(trifluoromethyl)thiomorpholine
CID 145167718
3,3-Difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
CID 155036689
4-Fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
CID 167008502
3-Methyl-4-propan-2-yl-5-(trifluoromethyl)thiomorpholine
CID 176871810
3-Ethyl-2,4-dimethylthiomorpholine
CID 12517922
2-Methyl-3.4-diathyl-thiomorpholin
CID 12517923
4-(2-Fluoroethyl)-3-methylthiomorpholine
CID 126994484
4-(3-Fluoropropyl)-3-methyl-1,4-thiazinane 1-oxide
CID 126995244
4-(3-Fluoropropyl)-2,2-dimethylthiomorpholine
CID 126995601
3-Methyl-4-(3,3,3-trifluoropropyl)thiomorpholine
CID 127349536
4-(3-Fluorobutyl)-2,2-dimethylthiomorpholine
CID 128361709
4-(2-Fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
CID 130606431

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)-2,3-dimethylthiomorpholine?
The IUPAC name of 4-(3-fluoropropyl)-2,3-dimethylthiomorpholine (CID 127497755) is 4-(3-fluoropropyl)-2,3-dimethylthiomorpholine.
What is the SMILES notation for 4-(3-fluoropropyl)-2,3-dimethylthiomorpholine?
The canonical SMILES for 4-(3-fluoropropyl)-2,3-dimethylthiomorpholine is CC1SCCN(CCCF)C1C.
What is the InChIKey of 4-(3-fluoropropyl)-2,3-dimethylthiomorpholine?
The InChIKey is FAWLSVXRBNMUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-8-9(2)12-7-6-11(8)5-3-4-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(3-fluoropropyl)-2,3-dimethylthiomorpholine?
4-(3-fluoropropyl)-2,3-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)-2,3-dimethylthiomorpholine is sourced from PubChem (CID 127497755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).