(3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine

C19H18F3NS — CID 6365475

IUPAC(3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine
SMILESCN(C)CC/C=C1/c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H18F3NS/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
InChIKeyXVQXETRXWKTQSQ-AUWJEWJLSA-N
MW349.42 g/mol
LogP5.55
Rot. Bonds3

About (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine

(3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine (PubChem CID 6365475) has the molecular formula C19H18F3NS and a molecular weight of 349.42 g/mol. Its IUPAC name is (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine.

Molecular Properties

Compound Name(3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine
PubChem CID6365475
Molecular FormulaC19H18F3NS
Molecular Weight349.42 g/mol
Exact Mass349.11
IUPAC Name(3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine
SMILESCN(C)CC/C=C1/c2ccccc2Sc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H18F3NS/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
InChIKeyXVQXETRXWKTQSQ-AUWJEWJLSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.42
LogP ≤ 55.55
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 (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine?
The IUPAC name of (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine (CID 6365475) is (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine.
What is the SMILES notation for (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine?
The canonical SMILES for (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine is CN(C)CC/C=C1/c2ccccc2Sc2ccc(C(F)(F)F)cc21.
What is the InChIKey of (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine?
The InChIKey is XVQXETRXWKTQSQ-AUWJEWJLSA-N. The full InChI is InChI=1S/C19H18F3NS/c1-23(2)11-5-7-14-15-6-3-4-8-17(15)24-18-10-9-13(12-16(14)18)19(20,21)22/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-.
What are the key properties of (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine?
(3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine has a molecular weight of 349.42 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-dimethyl-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propan-1-amine is sourced from PubChem (CID 6365475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).