(4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one

C19H18FNO — CID 67426543

IUPAC(4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one
SMILESCN(C)C=C1C[C@@H](c2ccccc2F)c2ccccc2C1=O
InChIInChI=1S/C19H18FNO/c1-21(2)12-13-11-17(15-8-5-6-10-18(15)20)14-7-3-4-9-16(14)19(13)22/h3-10,12,17H,11H2,1-2H3/t17-/m1/s1
InChIKeyCJYQKYAKUJYTMY-QGZVFWFLSA-N
MW295.36 g/mol
LogP3.99
Rot. Bonds2

About (4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one

(4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one (PubChem CID 67426543) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is (4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name(4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one
PubChem CID67426543
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name(4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one
SMILESCN(C)C=C1C[C@@H](c2ccccc2F)c2ccccc2C1=O
InChIInChI=1S/C19H18FNO/c1-21(2)12-13-11-17(15-8-5-6-10-18(15)20)14-7-3-4-9-16(14)19(13)22/h3-10,12,17H,11H2,1-2H3/t17-/m1/s1
InChIKeyCJYQKYAKUJYTMY-QGZVFWFLSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one?
The IUPAC name of (4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one (CID 67426543) is (4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for (4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for (4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one is CN(C)C=C1C[C@@H](c2ccccc2F)c2ccccc2C1=O.
What is the InChIKey of (4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one?
The InChIKey is CJYQKYAKUJYTMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18FNO/c1-21(2)12-13-11-17(15-8-5-6-10-18(15)20)14-7-3-4-9-16(14)19(13)22/h3-10,12,17H,11H2,1-2H3/t17-/m1/s1.
What are the key properties of (4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one?
(4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one has a molecular weight of 295.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(dimethylaminomethylidene)-4-(2-fluorophenyl)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 67426543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).