N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide

C9H11BrF3NO — CID 144910448

IUPACN-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
SMILESCC(=O)NC1CC(C(F)(F)F)CC=C1Br
InChIInChI=1S/C9H11BrF3NO/c1-5(15)14-8-4-6(9(11,12)13)2-3-7(8)10/h3,6,8H,2,4H2,1H3,(H,14,15)
InChIKeyNCRMCFNACNNFBV-UHFFFAOYSA-N
MW286.09 g/mol
LogP2.74
Rot. Bonds1

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

N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide (PubChem CID 144910448) has the molecular formula C9H11BrF3NO and a molecular weight of 286.09 g/mol. Its IUPAC name is N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
PubChem CID144910448
Molecular FormulaC9H11BrF3NO
Molecular Weight286.09 g/mol
Exact Mass285.00
IUPAC NameN-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
SMILESCC(=O)NC1CC(C(F)(F)F)CC=C1Br
InChIInChI=1S/C9H11BrF3NO/c1-5(15)14-8-4-6(9(11,12)13)2-3-7(8)10/h3,6,8H,2,4H2,1H3,(H,14,15)
InChIKeyNCRMCFNACNNFBV-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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CID 136588918
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Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
The IUPAC name of N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide (CID 144910448) is N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide.
What is the SMILES notation for N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
The canonical SMILES for N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide is CC(=O)NC1CC(C(F)(F)F)CC=C1Br.
What is the InChIKey of N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
The InChIKey is NCRMCFNACNNFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NO/c1-5(15)14-8-4-6(9(11,12)13)2-3-7(8)10/h3,6,8H,2,4H2,1H3,(H,14,15).
What are the key properties of N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide?
N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide has a molecular weight of 286.09 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide is sourced from PubChem (CID 144910448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).