(E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide

C7H7F4NO — CID 22340692

IUPAC(E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide
SMILESNC(=O)/C=C/C1CC(F)(F)C1(F)F
InChIInChI=1S/C7H7F4NO/c8-6(9)3-4(7(6,10)11)1-2-5(12)13/h1-2,4H,3H2,(H2,12,13)/b2-1+
InChIKeyIBQQKWYBQRCNSU-OWOJBTEDSA-N
MW197.13 g/mol
LogP1.32
Rot. Bonds2

About (E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide

(E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide (PubChem CID 22340692) has the molecular formula C7H7F4NO and a molecular weight of 197.13 g/mol. Its IUPAC name is (E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide
PubChem CID22340692
Molecular FormulaC7H7F4NO
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name(E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide
SMILESNC(=O)/C=C/C1CC(F)(F)C1(F)F
InChIInChI=1S/C7H7F4NO/c8-6(9)3-4(7(6,10)11)1-2-5(12)13/h1-2,4H,3H2,(H2,12,13)/b2-1+
InChIKeyIBQQKWYBQRCNSU-OWOJBTEDSA-N
XLogP1.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide (CID 22340692) is (E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide is NC(=O)/C=C/C1CC(F)(F)C1(F)F.
What is the InChIKey of (E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide?
The InChIKey is IBQQKWYBQRCNSU-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H7F4NO/c8-6(9)3-4(7(6,10)11)1-2-5(12)13/h1-2,4H,3H2,(H2,12,13)/b2-1+.
What are the key properties of (E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide?
(E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide has a molecular weight of 197.13 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,2,3,3-tetrafluorocyclobutyl)prop-2-enamide is sourced from PubChem (CID 22340692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).