3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine

C20H20FNOS — CID 77439569

IUPAC3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine
SMILESCc1ccc(/N=C2\OCC(C)(C)C2=CSc2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FNOS/c1-14-4-8-16(9-5-14)22-19-18(20(2,3)13-23-19)12-24-17-10-6-15(21)7-11-17/h4-12H,13H2,1-3H3/b18-12?,22-19-
InChIKeyFHKXNYKSCCUILQ-XRTGDFTJSA-N
MW341.45 g/mol
LogP5.90
Rot. Bonds3

About 3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine

3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine (PubChem CID 77439569) has the molecular formula C20H20FNOS and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine
PubChem CID77439569
Molecular FormulaC20H20FNOS
Molecular Weight341.45 g/mol
Exact Mass341.12
IUPAC Name3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine
SMILESCc1ccc(/N=C2\OCC(C)(C)C2=CSc2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FNOS/c1-14-4-8-16(9-5-14)22-19-18(20(2,3)13-23-19)12-24-17-10-6-15(21)7-11-17/h4-12H,13H2,1-3H3/b18-12?,22-19-
InChIKeyFHKXNYKSCCUILQ-XRTGDFTJSA-N
XLogP5.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine
CID 67963122
(3E)-3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)thiolan-2-imine
CID 67963130
ethyl N-(4-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-enimidate
CID 68489612
3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)thiolan-2-imine
CID 77439572
N-(6-{[(2,4-difluorophenyl)sulphanyl]methylene}-3-ethoxycyclohex-2-en-1-ylidene)-4-methylaniline
CID 86702349
(E)-1-(4-fluorophenyl)sulfanyl-4,4-dimethyl-N-(4-methylphenyl)pent-1-en-3-imine
CID 87603793
6-[2-(2,4-difluorophenyl)sulfanylethenylidene]-3-ethoxy-N-(4-methylphenyl)cyclohex-2-en-1-imine
CID 88533740
(6Z)-6-[(2,4-difluorophenyl)sulfanylmethylidene]-3-ethoxy-N-(4-methylphenyl)cyclohex-2-en-1-imine
CID 89905354
(3E)-3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine
CID 89910587
butan-2-yl 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-enimidate
CID 90896044
1-(4-fluorophenyl)sulfanyl-4,4-dimethyl-N-(4-methylphenyl)pent-1-en-3-imine
CID 91330148
3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine
CID 123810079

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine?
The IUPAC name of 3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine (CID 77439569) is 3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine?
The canonical SMILES for 3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine is Cc1ccc(/N=C2\OCC(C)(C)C2=CSc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine?
The InChIKey is FHKXNYKSCCUILQ-XRTGDFTJSA-N. The full InChI is InChI=1S/C20H20FNOS/c1-14-4-8-16(9-5-14)22-19-18(20(2,3)13-23-19)12-24-17-10-6-15(21)7-11-17/h4-12H,13H2,1-3H3/b18-12?,22-19-.
What are the key properties of 3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine?
3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine has a molecular weight of 341.45 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine is sourced from PubChem (CID 77439569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).