N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide

C7H7F6NO — CID 87441607

IUPACN-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H7F6NO/c1-3(2)4(15)14-7(12,13)5(8)6(9,10)11/h5H,1H2,2H3,(H,14,15)
InChIKeyNBGKBLUHTBJSFM-UHFFFAOYSA-N
MW235.13 g/mol
LogP2.17
Rot. Bonds3

About N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide

N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide (PubChem CID 87441607) has the molecular formula C7H7F6NO and a molecular weight of 235.13 g/mol. Its IUPAC name is N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide
PubChem CID87441607
Molecular FormulaC7H7F6NO
Molecular Weight235.13 g/mol
Exact Mass235.04
IUPAC NameN-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H7F6NO/c1-3(2)4(15)14-7(12,13)5(8)6(9,10)11/h5H,1H2,2H3,(H,14,15)
InChIKeyNBGKBLUHTBJSFM-UHFFFAOYSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.13
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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N-(3,3-difluoropropyl)-2-methylprop-2-enamide
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N-[3-(aminomethyl)pentan-3-yl]-2-methylprop-2-enamide
CID 87432428
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CID 87329312
N,2-dimethylprop-2-enamide;ethane
CID 142291054
1,1,1-trifluoro-3-methylbut-3-en-2-one
CID 15366138
2-methyl-N-(2-methylprop-2-enoylcarbamoyl)prop-2-enamide
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CID 87771282

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide (CID 87441607) is N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide?
The InChIKey is NBGKBLUHTBJSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6NO/c1-3(2)4(15)14-7(12,13)5(8)6(9,10)11/h5H,1H2,2H3,(H,14,15).
What are the key properties of N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide?
N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide has a molecular weight of 235.13 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,3,3,3-hexafluoropropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87441607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).