(2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid

C10H20FNO2S — CID 58691932

IUPAC(2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid
SMILESO=S(O)C[C@H](F)CNCC1CCCCC1
InChIInChI=1S/C10H20FNO2S/c11-10(8-15(13)14)7-12-6-9-4-2-1-3-5-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1
InChIKeyUHLPQBAPUPPJJZ-SNVBAGLBSA-N
MW237.34 g/mol
LogP1.72
Rot. Bonds6

About (2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid

(2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid (PubChem CID 58691932) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is (2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid.

Molecular Properties

Compound Name(2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid
PubChem CID58691932
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Name(2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid
SMILESO=S(O)C[C@H](F)CNCC1CCCCC1
InChIInChI=1S/C10H20FNO2S/c11-10(8-15(13)14)7-12-6-9-4-2-1-3-5-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1
InChIKeyUHLPQBAPUPPJJZ-SNVBAGLBSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid?
The IUPAC name of (2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid (CID 58691932) is (2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid.
What is the SMILES notation for (2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid?
The canonical SMILES for (2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid is O=S(O)C[C@H](F)CNCC1CCCCC1.
What is the InChIKey of (2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid?
The InChIKey is UHLPQBAPUPPJJZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H20FNO2S/c11-10(8-15(13)14)7-12-6-9-4-2-1-3-5-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid?
(2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid has a molecular weight of 237.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(cyclohexylmethylamino)-2-fluoropropane-1-sulfinic acid is sourced from PubChem (CID 58691932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).