N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide

C5H5BrF5NO — CID 140586139

IUPACN-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide
SMILESCC(=O)NC(Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5BrF5NO/c1-2(13)12-3(6)4(7,8)5(9,10)11/h3H,1H3,(H,12,13)
InChIKeyJRTLFEMORNREMK-UHFFFAOYSA-N
MW270.00 g/mol
LogP2.04
Rot. Bonds2

About N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide

N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide (PubChem CID 140586139) has the molecular formula C5H5BrF5NO and a molecular weight of 270.00 g/mol. Its IUPAC name is N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide.

Molecular Properties

Compound NameN-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide
PubChem CID140586139
Molecular FormulaC5H5BrF5NO
Molecular Weight270.00 g/mol
Exact Mass268.95
IUPAC NameN-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide
SMILESCC(=O)NC(Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5BrF5NO/c1-2(13)12-3(6)4(7,8)5(9,10)11/h3H,1H3,(H,12,13)
InChIKeyJRTLFEMORNREMK-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.00
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-fluoroethyl)acetamide
CID 123354067
N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)acetamide
CID 3099800
N-(4,4,4-trifluoro-3-oxobutan-2-yl)acetamide
CID 45119229
N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide
CID 102171914
N-[(2R,3R)-3-bromobutan-2-yl]acetamide
CID 130631438
N-(2,3,3,3-tetrafluoropropyl)acetamide
CID 130011160
N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
CID 121358026
N-(1-acetamido-2-methylpropyl)acetamide
CID 14691990
ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
CID 157037411
(1-acetyloxy-2,2,3,3,3-pentafluoropropyl) acetate
CID 58963600
4,4,5,5,5-pentafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pentan-2-one
CID 175536602
3,3,4-trifluoropentan-2-one
CID 87161154

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide?
The IUPAC name of N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide (CID 140586139) is N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide.
What is the SMILES notation for N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide?
The canonical SMILES for N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide is CC(=O)NC(Br)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide?
The InChIKey is JRTLFEMORNREMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrF5NO/c1-2(13)12-3(6)4(7,8)5(9,10)11/h3H,1H3,(H,12,13).
What are the key properties of N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide?
N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide has a molecular weight of 270.00 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide is sourced from PubChem (CID 140586139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).