4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine

C19H17ClFNS — CID 3056862

IUPAC4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine
SMILESCN1CCC(=C2c3ccc(F)cc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C19H17ClFNS/c1-22-8-6-12(7-9-22)19-15-4-3-14(21)11-18(15)23-17-5-2-13(20)10-16(17)19/h2-5,10-11H,6-9H2,1H3
InChIKeyOIPUKSHAANONTB-UHFFFAOYSA-N
MW345.87 g/mol
LogP5.47
Rot. Bonds

About 4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine

4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine (PubChem CID 3056862) has the molecular formula C19H17ClFNS and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine
PubChem CID3056862
Molecular FormulaC19H17ClFNS
Molecular Weight345.87 g/mol
Exact Mass345.08
IUPAC Name4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine
SMILESCN1CCC(=C2c3ccc(F)cc3Sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C19H17ClFNS/c1-22-8-6-12(7-9-22)19-15-4-3-14(21)11-18(15)23-17-5-2-13(20)10-16(17)19/h2-5,10-11H,6-9H2,1H3
InChIKeyOIPUKSHAANONTB-UHFFFAOYSA-N
XLogP5.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine?
The IUPAC name of 4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine (CID 3056862) is 4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine.
What is the SMILES notation for 4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine?
The canonical SMILES for 4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine is CN1CCC(=C2c3ccc(F)cc3Sc3ccc(Cl)cc32)CC1.
What is the InChIKey of 4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine?
The InChIKey is OIPUKSHAANONTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNS/c1-22-8-6-12(7-9-22)19-15-4-3-14(21)11-18(15)23-17-5-2-13(20)10-16(17)19/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine?
4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine has a molecular weight of 345.87 g/mol, XLogP of 5.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorothioxanthen-9-ylidene)-1-methylpiperidine is sourced from PubChem (CID 3056862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).