(R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide

C14H16BrF2NOS — CID 71078765

IUPAC(R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C1CCC(F)(F)c2ccc(Br)cc21
InChIInChI=1S/C14H16BrF2NOS/c1-13(2,3)20(19)18-12-6-7-14(16,17)11-5-4-9(15)8-10(11)12/h4-5,8H,6-7H2,1-3H3/t20-/m1/s1
InChIKeyPKPBWNKWVIDBGB-HXUWFJFHSA-N
MW364.26 g/mol
LogP4.59
Rot. Bonds1

About (R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide

(R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 71078765) has the molecular formula C14H16BrF2NOS and a molecular weight of 364.26 g/mol. Its IUPAC name is (R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID71078765
Molecular FormulaC14H16BrF2NOS
Molecular Weight364.26 g/mol
Exact Mass363.01
IUPAC Name(R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N=C1CCC(F)(F)c2ccc(Br)cc21
InChIInChI=1S/C14H16BrF2NOS/c1-13(2,3)20(19)18-12-6-7-14(16,17)11-5-4-9(15)8-10(11)12/h4-5,8H,6-7H2,1-3H3/t20-/m1/s1
InChIKeyPKPBWNKWVIDBGB-HXUWFJFHSA-N
XLogP4.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide (CID 71078765) is (R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N=C1CCC(F)(F)c2ccc(Br)cc21.
What is the InChIKey of (R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is PKPBWNKWVIDBGB-HXUWFJFHSA-N. The full InChI is InChI=1S/C14H16BrF2NOS/c1-13(2,3)20(19)18-12-6-7-14(16,17)11-5-4-9(15)8-10(11)12/h4-5,8H,6-7H2,1-3H3/t20-/m1/s1.
What are the key properties of (R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide?
(R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 364.26 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-(7-bromo-4,4-difluoro-2,3-dihydronaphthalen-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 71078765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).