difluoro(thiomorpholin-4-ylmethyl)borane

C5H10BF2NS — CID 66524806

IUPACdifluoro(thiomorpholin-4-ylmethyl)borane
SMILESFB(F)CN1CCSCC1
InChIInChI=1S/C5H10BF2NS/c7-6(8)5-9-1-3-10-4-2-9/h1-5H2
InChIKeyABWMEGNKPOYKEY-UHFFFAOYSA-N
MW165.02 g/mol
LogP1.00
Rot. Bonds2

About difluoro(thiomorpholin-4-ylmethyl)borane

difluoro(thiomorpholin-4-ylmethyl)borane (PubChem CID 66524806) has the molecular formula C5H10BF2NS and a molecular weight of 165.02 g/mol. Its IUPAC name is difluoro(thiomorpholin-4-ylmethyl)borane.

Molecular Properties

Compound Namedifluoro(thiomorpholin-4-ylmethyl)borane
PubChem CID66524806
Molecular FormulaC5H10BF2NS
Molecular Weight165.02 g/mol
Exact Mass165.06
IUPAC Namedifluoro(thiomorpholin-4-ylmethyl)borane
SMILESFB(F)CN1CCSCC1
InChIInChI=1S/C5H10BF2NS/c7-6(8)5-9-1-3-10-4-2-9/h1-5H2
InChIKeyABWMEGNKPOYKEY-UHFFFAOYSA-N
XLogP1.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Trifluoro(thiomorpholin-4-ylmethyl)boranuide
CID 45588178
(Thiomorpholinium-4-ylmethyl)trifluoroborate
CID 53243772
4-(Trifluoromethyl)thiomorpholine
CID 133618384
Trifluoro-[(1-oxo-1,4-thiazinan-4-yl)methyl]boranuide
CID 63702033
Trifluoro-[(3-methylthiomorpholin-4-yl)methyl]boranuide
CID 64054070
(2,6-Dimethylthiomorpholin-4-yl)methyl-trifluoroboranuide
CID 64119463
Trifluoro-[(2-methylthiomorpholin-4-yl)methyl]boranuide
CID 116323537
(2-Ethylthiomorpholin-4-yl)methyl-trifluoroboranuide
CID 116403158
(2,2-Dimethylthiomorpholin-4-yl)methyl-trifluoroboranuide
CID 116407437
4-(2,2-Difluoroethyl)thiomorpholine
CID 130625752
Potassium 4-trifluoroboratomethylthiomorpholine
CID 45588177
CID 89995943
CID 89995943

Frequently Asked Questions

What is the IUPAC name of difluoro(thiomorpholin-4-ylmethyl)borane?
The IUPAC name of difluoro(thiomorpholin-4-ylmethyl)borane (CID 66524806) is difluoro(thiomorpholin-4-ylmethyl)borane.
What is the SMILES notation for difluoro(thiomorpholin-4-ylmethyl)borane?
The canonical SMILES for difluoro(thiomorpholin-4-ylmethyl)borane is FB(F)CN1CCSCC1.
What is the InChIKey of difluoro(thiomorpholin-4-ylmethyl)borane?
The InChIKey is ABWMEGNKPOYKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BF2NS/c7-6(8)5-9-1-3-10-4-2-9/h1-5H2.
What are the key properties of difluoro(thiomorpholin-4-ylmethyl)borane?
difluoro(thiomorpholin-4-ylmethyl)borane has a molecular weight of 165.02 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(thiomorpholin-4-ylmethyl)borane is sourced from PubChem (CID 66524806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).