prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate

C10H7BrFNO2 — CID 131151109

IUPACprop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate
SMILESC#CCOC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C10H7BrFNO2/c1-2-5-15-10(14)13-9-6-7(12)3-4-8(9)11/h1,3-4,6H,5H2,(H,13,14)
InChIKeyUSSADHVIHWSIKX-UHFFFAOYSA-N
MW272.07 g/mol
LogP2.77
Rot. Bonds2

About prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate

prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate (PubChem CID 131151109) has the molecular formula C10H7BrFNO2 and a molecular weight of 272.07 g/mol. Its IUPAC name is prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate
PubChem CID131151109
Molecular FormulaC10H7BrFNO2
Molecular Weight272.07 g/mol
Exact Mass270.96
IUPAC Nameprop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate
SMILESC#CCOC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C10H7BrFNO2/c1-2-5-15-10(14)13-9-6-7(12)3-4-8(9)11/h1,3-4,6H,5H2,(H,13,14)
InChIKeyUSSADHVIHWSIKX-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-5-fluorophenyl)urea
CID 99639427
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310
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(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
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3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
3-(2-bromo-5-fluorophenyl)-1,1-dimethylurea
CID 103755890
N-(2-bromo-5-fluorophenyl)-4-hydroxybutanamide
CID 107638337
prop-2-ynyl N-(2-ethylphenyl)carbamate
CID 91733300
N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide
CID 103753613
2-bromo-5-fluoro-N-[(2-prop-2-ynoxyphenyl)methyl]aniline
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2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
CID 107624236
N-(2-bromo-5-fluorophenyl)-2,2-difluoropropanamide
CID 130674064

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate?
The IUPAC name of prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate (CID 131151109) is prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate.
What is the SMILES notation for prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate?
The canonical SMILES for prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate is C#CCOC(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate?
The InChIKey is USSADHVIHWSIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO2/c1-2-5-15-10(14)13-9-6-7(12)3-4-8(9)11/h1,3-4,6H,5H2,(H,13,14).
What are the key properties of prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate?
prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate has a molecular weight of 272.07 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-(2-bromo-5-fluorophenyl)carbamate is sourced from PubChem (CID 131151109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).