(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide

C16H20Br2F6N2O — CID 158997253

IUPAC(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](C(F)(F)F)CC=C1Br.N[C@@H]1C[C@H](C(F)(F)F)CC=C1Br
InChIInChI=1S/C9H11BrF3NO.C7H9BrF3N/c1-5(15)14-8-4-6(9(11,12)13)2-3-7(8)10;8-5-2-1-4(3-6(5)12)7(9,10)11/h3,6,8H,2,4H2,1H3,(H,14,15);2,4,6H,1,3,12H2/t6-,8-;4-,6-/m11/s1
InChIKeyJQWSFGOBKYXYEA-ZNYIEHACSA-N
MW530.15 g/mol
LogP5.31
Rot. Bonds1

About (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide

(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide (PubChem CID 158997253) has the molecular formula C16H20Br2F6N2O and a molecular weight of 530.15 g/mol. Its IUPAC name is (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound Name(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
PubChem CID158997253
Molecular FormulaC16H20Br2F6N2O
Molecular Weight530.15 g/mol
Exact Mass527.98
IUPAC Name(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1C[C@H](C(F)(F)F)CC=C1Br.N[C@@H]1C[C@H](C(F)(F)F)CC=C1Br
InChIInChI=1S/C9H11BrF3NO.C7H9BrF3N/c1-5(15)14-8-4-6(9(11,12)13)2-3-7(8)10;8-5-2-1-4(3-6(5)12)7(9,10)11/h3,6,8H,2,4H2,1H3,(H,14,15);2,4,6H,1,3,12H2/t6-,8-;4-,6-/m11/s1
InChIKeyJQWSFGOBKYXYEA-ZNYIEHACSA-N
XLogP5.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.15
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
The IUPAC name of (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide (CID 158997253) is (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
The canonical SMILES for (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide is CC(=O)N[C@@H]1C[C@H](C(F)(F)F)CC=C1Br.N[C@@H]1C[C@H](C(F)(F)F)CC=C1Br.
What is the InChIKey of (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
The InChIKey is JQWSFGOBKYXYEA-ZNYIEHACSA-N. The full InChI is InChI=1S/C9H11BrF3NO.C7H9BrF3N/c1-5(15)14-8-4-6(9(11,12)13)2-3-7(8)10;8-5-2-1-4(3-6(5)12)7(9,10)11/h3,6,8H,2,4H2,1H3,(H,14,15);2,4,6H,1,3,12H2/t6-,8-;4-,6-/m11/s1.
What are the key properties of (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide has a molecular weight of 530.15 g/mol, XLogP of 5.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-amine;N-[(1R,5R)-2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 158997253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).