N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide

C7H6F7NO — CID 2774882

IUPACN-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide
SMILESC=CC(=O)NCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F7NO/c1-2-4(16)15-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2,(H,15,16)
InChIKeySQBHHHGUOQBSBF-UHFFFAOYSA-N
MW253.12 g/mol
LogP2.12
Rot. Bonds4

About N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide

N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide (PubChem CID 2774882) has the molecular formula C7H6F7NO and a molecular weight of 253.12 g/mol. Its IUPAC name is N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide
PubChem CID2774882
Molecular FormulaC7H6F7NO
Molecular Weight253.12 g/mol
Exact Mass253.03
IUPAC NameN-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide
SMILESC=CC(=O)NCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H6F7NO/c1-2-4(16)15-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2,(H,15,16)
InChIKeySQBHHHGUOQBSBF-UHFFFAOYSA-N
XLogP2.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.12
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5,5,6,6,7,7,7-heptafluorohept-1-en-3-one
CID 101061055
N-[2-methyl-2-(methylamino)propyl]prop-2-enamide
CID 155577367
N-(2-ethyl-2-methylbutyl)prop-2-enamide
CID 146614205
CID 173161904
CID 173161904
2-ethyl-2-[(prop-2-enoylamino)methyl]butanoic acid
CID 115429764
N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]prop-2-enamide
CID 18970234
1-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]butane-2-sulfonic acid
CID 87757557
N-(sulfanylmethyl)prop-2-enamide
CID 21197466
ethene;N-(hydroxymethyl)prop-2-enamide
CID 88605914
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
bis[2-methyl-1-(prop-2-enoylamino)propan-2-yl] sulfate
CID 174730556
N-(2-methyl-2-propan-2-yloxypropyl)prop-2-enamide
CID 167098282

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide?
The IUPAC name of N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide (CID 2774882) is N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide.
What is the SMILES notation for N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide?
The canonical SMILES for N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide is C=CC(=O)NCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide?
The InChIKey is SQBHHHGUOQBSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F7NO/c1-2-4(16)15-3-5(8,9)6(10,11)7(12,13)14/h2H,1,3H2,(H,15,16).
What are the key properties of N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide?
N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide has a molecular weight of 253.12 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,4,4,4-heptafluorobutyl)prop-2-enamide is sourced from PubChem (CID 2774882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).