4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide

C11H8F3NO2 — CID 170473611

IUPAC4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide
SMILESNC(=O)CC#Cc1c(F)cccc1OC(F)F
InChIInChI=1S/C11H8F3NO2/c12-8-4-2-5-9(17-11(13)14)7(8)3-1-6-10(15)16/h2,4-5,11H,6H2,(H2,15,16)
InChIKeyQZXRAYHMDMPBSL-UHFFFAOYSA-N
MW243.18 g/mol
LogP1.65
Rot. Bonds3

About 4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide

4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide (PubChem CID 170473611) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide.

Molecular Properties

Compound Name4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide
PubChem CID170473611
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide
SMILESNC(=O)CC#Cc1c(F)cccc1OC(F)F
InChIInChI=1S/C11H8F3NO2/c12-8-4-2-5-9(17-11(13)14)7(8)3-1-6-10(15)16/h2,4-5,11H,6H2,(H2,15,16)
InChIKeyQZXRAYHMDMPBSL-UHFFFAOYSA-N
XLogP1.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.65
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

4-[2-(difluoromethoxy)-6-fluorophenyl]-N-methylbut-3-yn-1-amine
CID 170464868
2-(difluoromethoxy)-6-fluorobenzonitrile
CID 23448361
4-(2-propan-2-yloxyphenyl)but-3-ynamide
CID 170473356
2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine;hydroiodide
CID 111498125
methyl 2-(difluoromethoxy)-6-fluorobenzoate
CID 59487507
ethyl 3-[2-(difluoromethoxy)-6-fluorophenyl]-2,3-dihydroxypropanoate
CID 171866686
2-(difluoromethoxy)-6-(2-oxopropyl)benzonitrile
CID 118808954
4-(difluoromethoxy)-3-fluorobenzamide
CID 90825397
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
3-fluoro-2-(4-methoxy-4-oxobut-1-ynyl)benzoic acid
CID 170469715
2-(2,3-difluorophenoxy)propanamide
CID 63038540
(3R)-3-(2-cyano-3-fluorophenoxy)butanoic acid
CID 93219334

Frequently Asked Questions

What is the IUPAC name of 4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide?
The IUPAC name of 4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide (CID 170473611) is 4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide.
What is the SMILES notation for 4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide?
The canonical SMILES for 4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide is NC(=O)CC#Cc1c(F)cccc1OC(F)F.
What is the InChIKey of 4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide?
The InChIKey is QZXRAYHMDMPBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-8-4-2-5-9(17-11(13)14)7(8)3-1-6-10(15)16/h2,4-5,11H,6H2,(H2,15,16).
What are the key properties of 4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide?
4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide has a molecular weight of 243.18 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(difluoromethoxy)-6-fluorophenyl]but-3-ynamide is sourced from PubChem (CID 170473611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).