(R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide

C12H14F3NOS — CID 86732219

IUPAC(R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C(CF)c1cccc(F)c1F
InChIInChI=1S/C12H14F3NOS/c1-12(2,3)18(17)16-10(7-13)8-5-4-6-9(14)11(8)15/h4-6H,7H2,1-3H3/t18-/m1/s1
InChIKeyAPQRPHSCGOIYTM-GOSISDBHSA-N
MW277.31 g/mol
LogP3.19
Rot. Bonds3

About (R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide

(R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 86732219) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is (R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide
PubChem CID86732219
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name(R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C(CF)c1cccc(F)c1F
InChIInChI=1S/C12H14F3NOS/c1-12(2,3)18(17)16-10(7-13)8-5-4-6-9(14)11(8)15/h4-6H,7H2,1-3H3/t18-/m1/s1
InChIKeyAPQRPHSCGOIYTM-GOSISDBHSA-N
XLogP3.19
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4'-Fluoroacetophenone oxime
CID 5382861
(NE)-N-[(E)-1-(3,4-difluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
CID 44135995
1-(4-Fluorophenyl)ethanone oxime
CID 9497
[N(E),S(S)]-N-(3-Fluorophenyl)methyleneperfluorobutanesulfinamide
CID 138395053
[N(E),S(S)]-N-(2-Fluorophenyl)methyleneperfluorobutanesulfinamide
CID 138395054
O-Fluoroacetophenone oxime
CID 9603264
N-[1-(2-fluorophenyl)ethylidene]hydroxylamine
CID 592758
N-(1-(3-Fluorophenyl)ethylidene)hydroxylamine
CID 71359994
(R,E)-N-[1-(5-bromo-2-fluorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 86660404
4-(4-Fluorophenyl)dithiazole-5-thione
CID 44569470
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(2-fluorophenyl)methylidene]butane-1-sulfinamide
CID 125477428
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide
CID 125477454

Frequently Asked Questions

What is the IUPAC name of (R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide (CID 86732219) is (R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C(CF)c1cccc(F)c1F.
What is the InChIKey of (R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is APQRPHSCGOIYTM-GOSISDBHSA-N. The full InChI is InChI=1S/C12H14F3NOS/c1-12(2,3)18(17)16-10(7-13)8-5-4-6-9(14)11(8)15/h4-6H,7H2,1-3H3/t18-/m1/s1.
What are the key properties of (R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide?
(R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 277.31 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[1-(2,3-difluorophenyl)-2-fluoroethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 86732219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).