1-fluoro-N,N-dimethyl-2,2-diphenylethenamine

C16H16FN — CID 23105494

IUPAC1-fluoro-N,N-dimethyl-2,2-diphenylethenamine
SMILESCN(C)C(F)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16FN/c1-18(2)16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyRUXAKCRPVHQASA-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.93
Rot. Bonds3

About 1-fluoro-N,N-dimethyl-2,2-diphenylethenamine

1-fluoro-N,N-dimethyl-2,2-diphenylethenamine (PubChem CID 23105494) has the molecular formula C16H16FN and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-fluoro-N,N-dimethyl-2,2-diphenylethenamine.

Molecular Properties

Compound Name1-fluoro-N,N-dimethyl-2,2-diphenylethenamine
PubChem CID23105494
Molecular FormulaC16H16FN
Molecular Weight241.31 g/mol
Exact Mass241.13
IUPAC Name1-fluoro-N,N-dimethyl-2,2-diphenylethenamine
SMILESCN(C)C(F)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16FN/c1-18(2)16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyRUXAKCRPVHQASA-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

lithium 1-(dimethylamino)-2,2-diphenylethenolate
CID 101054680
2-fluoro-1-phenylprop-1-en-1-ol
CID 164853949
CID 67882804
CID 67882804
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
2,2-diphenylethene-1,1-diselenol
CID 175146391
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
CID 102368693
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
(E)-3-(dimethylamino)-1-phenylbut-2-en-1-one
CID 11019632
[dimethylamino(phenyl)methylidene]-iodogold
CID 71319519
N,N-dimethyl-1,2-diphenyl-2-silylethenamine
CID 173065135

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N,N-dimethyl-2,2-diphenylethenamine?
The IUPAC name of 1-fluoro-N,N-dimethyl-2,2-diphenylethenamine (CID 23105494) is 1-fluoro-N,N-dimethyl-2,2-diphenylethenamine.
What is the SMILES notation for 1-fluoro-N,N-dimethyl-2,2-diphenylethenamine?
The canonical SMILES for 1-fluoro-N,N-dimethyl-2,2-diphenylethenamine is CN(C)C(F)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-fluoro-N,N-dimethyl-2,2-diphenylethenamine?
The InChIKey is RUXAKCRPVHQASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN/c1-18(2)16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of 1-fluoro-N,N-dimethyl-2,2-diphenylethenamine?
1-fluoro-N,N-dimethyl-2,2-diphenylethenamine has a molecular weight of 241.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,N-dimethyl-2,2-diphenylethenamine is sourced from PubChem (CID 23105494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).