(3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

C20H20FNOS — CID 7274859

IUPAC(3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
SMILESCN1/C(=C\C(=O)CSc2ccccc2F)C(C)(C)c2ccccc21
InChIInChI=1S/C20H20FNOS/c1-20(2)15-8-4-6-10-17(15)22(3)19(20)12-14(23)13-24-18-11-7-5-9-16(18)21/h4-12H,13H2,1-3H3/b19-12-
InChIKeySRHCUVYYDGVGJP-UNOMPAQXSA-N
MW341.45 g/mol
LogP4.80
Rot. Bonds4

About (3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

(3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (PubChem CID 7274859) has the molecular formula C20H20FNOS and a molecular weight of 341.45 g/mol. Its IUPAC name is (3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.

Molecular Properties

Compound Name(3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
PubChem CID7274859
Molecular FormulaC20H20FNOS
Molecular Weight341.45 g/mol
Exact Mass341.12
IUPAC Name(3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
SMILESCN1/C(=C\C(=O)CSc2ccccc2F)C(C)(C)c2ccccc21
InChIInChI=1S/C20H20FNOS/c1-20(2)15-8-4-6-10-17(15)22(3)19(20)12-14(23)13-24-18-11-7-5-9-16(18)21/h4-12H,13H2,1-3H3/b19-12-
InChIKeySRHCUVYYDGVGJP-UNOMPAQXSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The IUPAC name of (3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one (CID 7274859) is (3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.
What is the SMILES notation for (3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The canonical SMILES for (3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is CN1/C(=C\C(=O)CSc2ccccc2F)C(C)(C)c2ccccc21.
What is the InChIKey of (3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
The InChIKey is SRHCUVYYDGVGJP-UNOMPAQXSA-N. The full InChI is InChI=1S/C20H20FNOS/c1-20(2)15-8-4-6-10-17(15)22(3)19(20)12-14(23)13-24-18-11-7-5-9-16(18)21/h4-12H,13H2,1-3H3/b19-12-.
What are the key properties of (3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one?
(3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one has a molecular weight of 341.45 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-(2-fluorophenyl)sulfanyl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one is sourced from PubChem (CID 7274859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).