(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine

C14H12F3N — CID 66510294

IUPAC(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1ccc2c3c(cccc13)CC2)C(F)(F)F
InChIInChI=1S/C14H12F3N/c15-14(16,17)13(18)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13H,4-5,18H2/t13-/m1/s1
InChIKeyADNMKLPFFALVAL-CYBMUJFWSA-N
MW251.25 g/mol
LogP3.50
Rot. Bonds1

About (1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine

(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine (PubChem CID 66510294) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is (1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
PubChem CID66510294
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine
SMILESN[C@H](c1ccc2c3c(cccc13)CC2)C(F)(F)F
InChIInChI=1S/C14H12F3N/c15-14(16,17)13(18)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13H,4-5,18H2/t13-/m1/s1
InChIKeyADNMKLPFFALVAL-CYBMUJFWSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(1,2-dihydroacenaphthylen-5-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

5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939619
5-(1-bromo-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939714
1-(1,2-dihydroacenaphthylen-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114939242
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 114939506
5-(1-bromo-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939778
5-(1-chloro-3,3,3-trifluoropropyl)-1,2-dihydroacenaphthylene
CID 114939684
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
CID 114939245
1-(1,2-dihydroacenaphthylen-5-yl)-2-propylpentan-1-amine
CID 114939227
1-(1,2-dihydroacenaphthylen-5-yl)-2-methylsulfonylpropan-1-amine
CID 114939189
(5-bromothiophen-3-yl)-(1,2-dihydroacenaphthylen-5-yl)methanamine
CID 107961381
1,2-dihydroacenaphthylen-5-yl-(3-methylfuran-2-yl)methanamine
CID 114939239
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2,2-trifluoroethanamine
CID 112704592

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine (CID 66510294) is (1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine is N[C@H](c1ccc2c3c(cccc13)CC2)C(F)(F)F.
What is the InChIKey of (1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine?
The InChIKey is ADNMKLPFFALVAL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H12F3N/c15-14(16,17)13(18)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7,13H,4-5,18H2/t13-/m1/s1.
What are the key properties of (1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine?
(1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine has a molecular weight of 251.25 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,2-dihydroacenaphthylen-5-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66510294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).