(1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine

C16H12F3N — CID 66512030

IUPAC(1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1c2ccccc2cc2ccccc12)C(F)(F)F
InChIInChI=1S/C16H12F3N/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H,20H2/t15-/m0/s1
InChIKeyKKAPHUQWVJTVRZ-HNNXBMFYSA-N
MW275.27 g/mol
LogP4.56
Rot. Bonds1

About (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine

(1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine (PubChem CID 66512030) has the molecular formula C16H12F3N and a molecular weight of 275.27 g/mol. Its IUPAC name is (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine
PubChem CID66512030
Molecular FormulaC16H12F3N
Molecular Weight275.27 g/mol
Exact Mass275.09
IUPAC Name(1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1c2ccccc2cc2ccccc12)C(F)(F)F
InChIInChI=1S/C16H12F3N/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H,20H2/t15-/m0/s1
InChIKeyKKAPHUQWVJTVRZ-HNNXBMFYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cinacalcet
CID 156419
Cinacalcet Hydrochloride
CID 156418
Xaliproden
CID 128919
Xaliproden Hydrochloride
CID 128918
1-(1-Naphthyl)ethylamine
CID 98089
1-Naphthalenemethanamine
CID 8355
1-(Naphthalen-2-yl)ethan-1-amine
CID 3857145
alpha-Methyl-2-naphthaleneethanamine
CID 10219723
N-(1-naphthylmethyl)-N-(2-naphthylmethyl)amine
CID 2817655
N-(1-naphthalen-1-ylethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 6101856
N'-[4-(9-anthrylmethylamino)butyl]butane-1,4-diamine
CID 10360469
1-Pyrenebutylamine
CID 3311060

Frequently Asked Questions

What is the IUPAC name of (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine (CID 66512030) is (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine is N[C@@H](c1c2ccccc2cc2ccccc12)C(F)(F)F.
What is the InChIKey of (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine?
The InChIKey is KKAPHUQWVJTVRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H12F3N/c17-16(18,19)15(20)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H,20H2/t15-/m0/s1.
What are the key properties of (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine?
(1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine has a molecular weight of 275.27 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-anthracen-9-yl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66512030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).