(6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide

C18H26F5N3OS — CID 140652095

IUPAC(6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide
SMILESCc1cccc(C(CF)(C/C(=N/N(C)C)C(F)(F)F)CC(C)(C)S(N)=O)c1F
InChIInChI=1S/C18H26F5N3OS/c1-12-7-6-8-13(15(12)20)17(11-19,10-16(2,3)28(24)27)9-14(18(21,22)23)25-26(4)5/h6-8H,9-11,24H2,1-5H3/b25-14-
InChIKeySYWVBEWEFPVNGF-QFEZKATASA-N
MW427.48 g/mol
LogP4.00
Rot. Bonds8

About (6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide

(6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide (PubChem CID 140652095) has the molecular formula C18H26F5N3OS and a molecular weight of 427.48 g/mol. Its IUPAC name is (6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide.

Molecular Properties

Compound Name(6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide
PubChem CID140652095
Molecular FormulaC18H26F5N3OS
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name(6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide
SMILESCc1cccc(C(CF)(C/C(=N/N(C)C)C(F)(F)F)CC(C)(C)S(N)=O)c1F
InChIInChI=1S/C18H26F5N3OS/c1-12-7-6-8-13(15(12)20)17(11-19,10-16(2,3)28(24)27)9-14(18(21,22)23)25-26(4)5/h6-8H,9-11,24H2,1-5H3/b25-14-
InChIKeySYWVBEWEFPVNGF-QFEZKATASA-N
XLogP4.00
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide?
The IUPAC name of (6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide (CID 140652095) is (6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide.
What is the SMILES notation for (6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide?
The canonical SMILES for (6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide is Cc1cccc(C(CF)(C/C(=N/N(C)C)C(F)(F)F)CC(C)(C)S(N)=O)c1F.
What is the InChIKey of (6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide?
The InChIKey is SYWVBEWEFPVNGF-QFEZKATASA-N. The full InChI is InChI=1S/C18H26F5N3OS/c1-12-7-6-8-13(15(12)20)17(11-19,10-16(2,3)28(24)27)9-14(18(21,22)23)25-26(4)5/h6-8H,9-11,24H2,1-5H3/b25-14-.
What are the key properties of (6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide?
(6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide has a molecular weight of 427.48 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(dimethylhydrazinylidene)-7,7,7-trifluoro-4-(fluoromethyl)-4-(2-fluoro-3-methylphenyl)-2-methylheptane-2-sulfinamide is sourced from PubChem (CID 140652095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).