N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide

C8H9BrFNO — CID 143838666

IUPACN-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=C(Br)CCC(F)=C1
InChIInChI=1S/C8H9BrFNO/c1-5(12)11-8-4-6(10)2-3-7(8)9/h4H,2-3H2,1H3,(H,11,12)
InChIKeyBOQHAUUNFVEEIC-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.38
Rot. Bonds1

About N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide

N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 143838666) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide
PubChem CID143838666
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC NameN-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=C(Br)CCC(F)=C1
InChIInChI=1S/C8H9BrFNO/c1-5(12)11-8-4-6(10)2-3-7(8)9/h4H,2-3H2,1H3,(H,11,12)
InChIKeyBOQHAUUNFVEEIC-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 89363295
(6S)-7-bromo-6-fluoro-4-methyl-5,6-dihydro-1H-quinolin-2-one
CID 117663048
N-(4-bromo-5-chloro-3-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 134470461
N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide
CID 142113001
N-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 143974056
N-(3-bromo-4,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)acetamide
CID 153529497
(2R,3E)-N-(4-bromocyclohexa-1,3-dien-1-yl)-6-fluoro-2-methylocta-3,7-dienamide
CID 163411039
5-Bromo-4,6-dimethylpyridin-2(1H)-one
CID 13463816
N-(2-bromohepta-1,3,6-trien-3-yl)acetamide
CID 123486712
N-(4-bromocyclohexa-1,3-dien-1-yl)acetamide
CID 124008507
N-(5-bromocyclohexa-1,5-dien-1-yl)acetamide
CID 143412987
N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide;methanamine
CID 143838665

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide (CID 143838666) is N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide is CC(=O)NC1=C(Br)CCC(F)=C1.
What is the InChIKey of N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is BOQHAUUNFVEEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-5(12)11-8-4-6(10)2-3-7(8)9/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide?
N-(2-bromo-5-fluorocyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 234.07 g/mol, XLogP of 2.38, 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-fluorocyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 143838666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).