2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide

C8H14F2N2O — CID 115406814

IUPAC2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC(F)F
InChIInChI=1S/C8H14F2N2O/c1-3-4-11-8(13)6(2)12-5-7(9)10/h3,6-7,12H,1,4-5H2,2H3,(H,11,13)
InChIKeyJGHUHXSISRCYKY-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.53
Rot. Bonds6

About 2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide

2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide (PubChem CID 115406814) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide
PubChem CID115406814
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NCC(F)F
InChIInChI=1S/C8H14F2N2O/c1-3-4-11-8(13)6(2)12-5-7(9)10/h3,6-7,12H,1,4-5H2,2H3,(H,11,13)
InChIKeyJGHUHXSISRCYKY-UHFFFAOYSA-N
XLogP0.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-2-[[(E)-4,4,4-trifluorobut-2-enyl]amino]butanamide
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(2S)-2-(4,4,4-trifluorobut-2-enylamino)butanamide
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2-(1-Fluoroprop-2-enylamino)propanamide
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2-amino-N-[(Z)-3,4,4-trifluorobut-2-enyl]propanamide
CID 88317782
2-amino-N-(3,4,4-trifluorobut-2-enyl)propanamide;hydrochloride
CID 140380237
2-(3-Fluoroprop-2-enylamino)propanamide
CID 173179196
N-propan-2-yl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089171
N-prop-2-enyl-2-(2,2,2-trifluoroethylamino)propanamide
CID 43089174
N-propyl-2-(2,2,2-trifluoroethylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide (CID 115406814) is 2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide?
The InChIKey is JGHUHXSISRCYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c1-3-4-11-8(13)6(2)12-5-7(9)10/h3,6-7,12H,1,4-5H2,2H3,(H,11,13).
What are the key properties of 2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide?
2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide has a molecular weight of 192.21 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 115406814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).