3-(2-fluoropropan-2-yl)thiomorpholine

C7H14FNS — CID 83815796

IUPAC3-(2-fluoropropan-2-yl)thiomorpholine
SMILESCC(C)(F)C1CSCCN1
InChIInChI=1S/C7H14FNS/c1-7(2,8)6-5-10-4-3-9-6/h6,9H,3-5H2,1-2H3
InChIKeyWICJVWVBRHTVLZ-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.44
Rot. Bonds1

About 3-(2-fluoropropan-2-yl)thiomorpholine

3-(2-fluoropropan-2-yl)thiomorpholine (PubChem CID 83815796) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)thiomorpholine.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)thiomorpholine
PubChem CID83815796
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name3-(2-fluoropropan-2-yl)thiomorpholine
SMILESCC(C)(F)C1CSCCN1
InChIInChI=1S/C7H14FNS/c1-7(2,8)6-5-10-4-3-9-6/h6,9H,3-5H2,1-2H3
InChIKeyWICJVWVBRHTVLZ-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methylthiomorpholine
CID 12600300
3,3-Dimethylthiomorpholine
CID 14988015
2,2-Dimethylthiomorpholine
CID 19425061
(3R)-3-methylthiomorpholine
CID 28419121
(3S)-3-methylthiomorpholine
CID 28419123
2-(Propan-2-yl)thiomorpholine
CID 56807259
3-Ethyl-2-methylthiomorpholine
CID 12517839
5-Trimethyl-thiomorpholin
CID 19848469
2,2,3-Trimethyl-thiomorpholin
CID 21022309
2,3-Dimethylthiomorpholine
CID 54594327
3-Isopropylthiomorpholine
CID 55288486
2,3,5,6-Tetramethylthio-morpholine
CID 57044051

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)thiomorpholine?
The IUPAC name of 3-(2-fluoropropan-2-yl)thiomorpholine (CID 83815796) is 3-(2-fluoropropan-2-yl)thiomorpholine.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)thiomorpholine?
The canonical SMILES for 3-(2-fluoropropan-2-yl)thiomorpholine is CC(C)(F)C1CSCCN1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)thiomorpholine?
The InChIKey is WICJVWVBRHTVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-7(2,8)6-5-10-4-3-9-6/h6,9H,3-5H2,1-2H3.
What are the key properties of 3-(2-fluoropropan-2-yl)thiomorpholine?
3-(2-fluoropropan-2-yl)thiomorpholine has a molecular weight of 163.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)thiomorpholine is sourced from PubChem (CID 83815796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).