2,2-difluoro-N-prop-2-ynylpropanamide

C6H7F2NO — CID 126994443

IUPAC2,2-difluoro-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)(F)F
InChIInChI=1S/C6H7F2NO/c1-3-4-9-5(10)6(2,7)8/h1H,4H2,2H3,(H,9,10)
InChIKeyXNPLWXIMOKRGPT-UHFFFAOYSA-N
MW147.12 g/mol
LogP0.39
Rot. Bonds2

About 2,2-difluoro-N-prop-2-ynylpropanamide

2,2-difluoro-N-prop-2-ynylpropanamide (PubChem CID 126994443) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is 2,2-difluoro-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2,2-difluoro-N-prop-2-ynylpropanamide
PubChem CID126994443
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name2,2-difluoro-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)(F)F
InChIInChI=1S/C6H7F2NO/c1-3-4-9-5(10)6(2,7)8/h1H,4H2,2H3,(H,9,10)
InChIKeyXNPLWXIMOKRGPT-UHFFFAOYSA-N
XLogP0.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-2-methyl-N-prop-2-ynylpropanamide
CID 101481850
3-chloro-2,2-dimethyl-N-prop-2-ynylpropanamide
CID 63679765
2-(ethylamino)-2-methyl-N-prop-2-ynylpropanamide
CID 62832671
2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide
CID 130742340
2-hydroxy-2,2-diphenyl-N-prop-2-ynylacetamide
CID 15023456
2-methyl-2-piperazin-1-yl-N-prop-2-ynylpropanamide
CID 80548330
N-(2-aminopropyl)-2,2-difluoropropanamide
CID 126985905
2,2-difluoro-N-hydroxypropanamide
CID 130495228
2,2-difluoro-N-[(1-methylcyclopropyl)methyl]propanamide
CID 131065134
2-iodo-N-prop-2-ynylpropanamide
CID 64789120
tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl N-prop-2-ynylcarbamate
CID 161111574
methyl 3,3,3-trifluoro-2-methyl-2-(prop-2-ynylamino)propanoate
CID 106523367

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-prop-2-ynylpropanamide?
The IUPAC name of 2,2-difluoro-N-prop-2-ynylpropanamide (CID 126994443) is 2,2-difluoro-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2,2-difluoro-N-prop-2-ynylpropanamide?
The canonical SMILES for 2,2-difluoro-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-prop-2-ynylpropanamide?
The InChIKey is XNPLWXIMOKRGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c1-3-4-9-5(10)6(2,7)8/h1H,4H2,2H3,(H,9,10).
What are the key properties of 2,2-difluoro-N-prop-2-ynylpropanamide?
2,2-difluoro-N-prop-2-ynylpropanamide has a molecular weight of 147.12 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-prop-2-ynylpropanamide is sourced from PubChem (CID 126994443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).