3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine

C21H16F3N — CID 143497256

IUPAC3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine
SMILESC=C(N)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H16F3N/c1-14(25)21(15-2-8-18(22)9-3-15,16-4-10-19(23)11-5-16)17-6-12-20(24)13-7-17/h2-13H,1,25H2
InChIKeyDOEFJGPHOHOUBC-UHFFFAOYSA-N
MW339.36 g/mol
LogP4.91
Rot. Bonds4

About 3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine

3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine (PubChem CID 143497256) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is 3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine.

Molecular Properties

Compound Name3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine
PubChem CID143497256
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC Name3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine
SMILESC=C(N)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H16F3N/c1-14(25)21(15-2-8-18(22)9-3-15,16-4-10-19(23)11-5-16)17-6-12-20(24)13-7-17/h2-13H,1,25H2
InChIKeyDOEFJGPHOHOUBC-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Ethylamine, 2,2,2-triphenyl-, hydrochloride
CID 3033278
[1-[4-(3,5-Difluorophenyl)phenyl]cyclohexyl]methanamine
CID 68673528
1-[1-(3,4-Difluorophenyl)cyclohexyl]methanamine
CID 58954819
2,2,2-Triphenylethylamine
CID 45406
Triphenylethyleneamine
CID 23327732
3,3-Bis(4-fluorophenyl)-2-phenylpropan-1-amine
CID 18676211
4,4-Bis(4-fluorophenyl)-5-methylhexane-1,5-diamine
CID 20502290
(4-Fluorophenyl)-diphenylmethanamine
CID 22660836
(2-Fluorophenyl)-diphenylmethanamine
CID 22660856
Diphenyl-[2-(trifluoromethyl)phenyl]methanamine
CID 23522888
2,2-Bis(4-fluorophenyl)-5-methylhexane-1,5-diamine
CID 57012501
8,8-Bis(4-fluorophenyl)-4-phenyloctane-1,5-diamine
CID 57235740

Frequently Asked Questions

What is the IUPAC name of 3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine?
The IUPAC name of 3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine (CID 143497256) is 3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine.
What is the SMILES notation for 3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine?
The canonical SMILES for 3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine is C=C(N)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine?
The InChIKey is DOEFJGPHOHOUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N/c1-14(25)21(15-2-8-18(22)9-3-15,16-4-10-19(23)11-5-16)17-6-12-20(24)13-7-17/h2-13H,1,25H2.
What are the key properties of 3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine?
3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine has a molecular weight of 339.36 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-tris(4-fluorophenyl)prop-1-en-2-amine is sourced from PubChem (CID 143497256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).