(NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide

C16H17F2NOS — CID 139185409

IUPAC(NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C(/c1ccc2ccccc2c1)C(F)F
InChIInChI=1S/C16H17F2NOS/c1-16(2,3)21(20)19-14(15(17)18)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,15H,1-3H3/b19-14-/t21-/m1/s1
InChIKeyALXNDJHSKGXACT-LUDQZLGDSA-N
MW309.38 g/mol
LogP4.36
Rot. Bonds3

About (NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide

(NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide (PubChem CID 139185409) has the molecular formula C16H17F2NOS and a molecular weight of 309.38 g/mol. Its IUPAC name is (NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide
PubChem CID139185409
Molecular FormulaC16H17F2NOS
Molecular Weight309.38 g/mol
Exact Mass309.10
IUPAC Name(NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)/N=C(/c1ccc2ccccc2c1)C(F)F
InChIInChI=1S/C16H17F2NOS/c1-16(2,3)21(20)19-14(15(17)18)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,15H,1-3H3/b19-14-/t21-/m1/s1
InChIKeyALXNDJHSKGXACT-LUDQZLGDSA-N
XLogP4.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 54.36
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

(NE,R)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]propane-2-sulfinamide
CID 16083440
(NE,R)-2-methyl-N-[2,2,2-trifluoro-1-(4-methylphenyl)ethylidene]propane-2-sulfinamide
CID 135077950
(NE)-N-(3,3,3-trifluoro-1-naphthalen-2-ylpropylidene)hydroxylamine
CID 168304981
(NE,R)-N-(anthracen-9-ylmethylidene)-2-methylpropane-2-sulfinamide
CID 134838001
(NE,R)-2-methyl-N-(naphthalen-2-ylmethylidene)propane-2-sulfinamide
CID 12996091
(NE,R)-N-(3,4-dihydro-2H-naphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
CID 16083436
(R,E)-2-Methyl-N-(naphthalen-1-ylmethylene)propane-2-sulfinamide
CID 23657050
(NE)-2-methyl-N-(naphthalen-1-ylmethylidene)propane-2-sulfinamide
CID 134999374
1-(2-Naphthyl)-2,2,2-trifluoroethanimine
CID 12164764
(NZ)-N-(2,2,2-trifluoro-1-naphthalen-2-ylethylidene)hydroxylamine
CID 15110167
1-[6-(C,N-dimethylcarbonimidoyl)-3-[C-(1,1,2,2,3,3,3-heptafluoropropyl)-N-methylcarbonimidoyl]naphthalen-2-yl]-2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-imine
CID 59157337
[(2,2,2-Trifluoro-1-naphthalen-1-ylethylidene)amino] methanesulfonate
CID 85778915

Frequently Asked Questions

What is the IUPAC name of (NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide (CID 139185409) is (NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)/N=C(/c1ccc2ccccc2c1)C(F)F.
What is the InChIKey of (NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is ALXNDJHSKGXACT-LUDQZLGDSA-N. The full InChI is InChI=1S/C16H17F2NOS/c1-16(2,3)21(20)19-14(15(17)18)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,15H,1-3H3/b19-14-/t21-/m1/s1.
What are the key properties of (NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide?
(NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 309.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,R)-N-(2,2-difluoro-1-naphthalen-2-ylethylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139185409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).