4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine

C9H16FNS — CID 130659309

IUPAC4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine
SMILESCC1CN(CC2(F)CC2)CCS1
InChIInChI=1S/C9H16FNS/c1-8-6-11(4-5-12-8)7-9(10)2-3-9/h8H,2-7H2,1H3
InChIKeyRKBNARPFJHSXBO-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.93
Rot. Bonds2

About 4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine

4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine (PubChem CID 130659309) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine.

Molecular Properties

Compound Name4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine
PubChem CID130659309
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine
SMILESCC1CN(CC2(F)CC2)CCS1
InChIInChI=1S/C9H16FNS/c1-8-6-11(4-5-12-8)7-9(10)2-3-9/h8H,2-7H2,1H3
InChIKeyRKBNARPFJHSXBO-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine?
The IUPAC name of 4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine (CID 130659309) is 4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine.
What is the SMILES notation for 4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine?
The canonical SMILES for 4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine is CC1CN(CC2(F)CC2)CCS1.
What is the InChIKey of 4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine?
The InChIKey is RKBNARPFJHSXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNS/c1-8-6-11(4-5-12-8)7-9(10)2-3-9/h8H,2-7H2,1H3.
What are the key properties of 4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine?
4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine has a molecular weight of 189.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-fluorocyclopropyl)methyl]-2-methylthiomorpholine is sourced from PubChem (CID 130659309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).