(1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine

C12H9BrF3N — CID 66512546

IUPAC(1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1ccc2ccccc2c1Br)C(F)(F)F
InChIInChI=1S/C12H9BrF3N/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(17)12(14,15)16/h1-6,11H,17H2/t11-/m0/s1
InChIKeyRBMOFFFRCMCBKF-NSHDSACASA-N
MW304.11 g/mol
LogP4.16
Rot. Bonds1

About (1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine

(1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine (PubChem CID 66512546) has the molecular formula C12H9BrF3N and a molecular weight of 304.11 g/mol. Its IUPAC name is (1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine
PubChem CID66512546
Molecular FormulaC12H9BrF3N
Molecular Weight304.11 g/mol
Exact Mass302.99
IUPAC Name(1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1ccc2ccccc2c1Br)C(F)(F)F
InChIInChI=1S/C12H9BrF3N/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(17)12(14,15)16/h1-6,11H,17H2/t11-/m0/s1
InChIKeyRBMOFFFRCMCBKF-NSHDSACASA-N
XLogP4.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine (CID 66512546) is (1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine is N[C@@H](c1ccc2ccccc2c1Br)C(F)(F)F.
What is the InChIKey of (1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine?
The InChIKey is RBMOFFFRCMCBKF-NSHDSACASA-N. The full InChI is InChI=1S/C12H9BrF3N/c13-10-8-4-2-1-3-7(8)5-6-9(10)11(17)12(14,15)16/h1-6,11H,17H2/t11-/m0/s1.
What are the key properties of (1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine?
(1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine has a molecular weight of 304.11 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-bromonaphthalen-2-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66512546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).