(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide

C11H5F10NOS — CID 125477454

IUPAC(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide
SMILESO=[S@](N=Cc1cccc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F10NOS/c12-7-3-1-2-6(4-7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/t24-/m0/s1
InChIKeyYFLVIEFTGMOWIU-DEOSSOPVSA-N
MW389.21 g/mol
LogP4.33
Rot. Bonds5

About (S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide

(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide (PubChem CID 125477454) has the molecular formula C11H5F10NOS and a molecular weight of 389.21 g/mol. Its IUPAC name is (S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide.

Molecular Properties

Compound Name(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide
PubChem CID125477454
Molecular FormulaC11H5F10NOS
Molecular Weight389.21 g/mol
Exact Mass388.99
IUPAC Name(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide
SMILESO=[S@](N=Cc1cccc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H5F10NOS/c12-7-3-1-2-6(4-7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/t24-/m0/s1
InChIKeyYFLVIEFTGMOWIU-DEOSSOPVSA-N
XLogP4.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.21
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide?
The IUPAC name of (S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide (CID 125477454) is (S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide.
What is the SMILES notation for (S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide?
The canonical SMILES for (S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide is O=[S@](N=Cc1cccc(F)c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide?
The InChIKey is YFLVIEFTGMOWIU-DEOSSOPVSA-N. The full InChI is InChI=1S/C11H5F10NOS/c12-7-3-1-2-6(4-7)5-22-24(23)11(20,21)9(15,16)8(13,14)10(17,18)19/h1-5H/t24-/m0/s1.
What are the key properties of (S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide?
(S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide has a molecular weight of 389.21 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-1,1,2,2,3,3,4,4,4-nonafluoro-N-[(3-fluorophenyl)methylidene]butane-1-sulfinamide is sourced from PubChem (CID 125477454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).