N-(3,3,3-trifluoropropyl)prop-2-enamide

C6H8F3NO — CID 19792309

IUPACN-(3,3,3-trifluoropropyl)prop-2-enamide
SMILESC=CC(=O)NCCC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-5(11)10-4-3-6(7,8)9/h2H,1,3-4H2,(H,10,11)
InChIKeyVYDQLVREHTUCEP-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.24
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)prop-2-enamide

N-(3,3,3-trifluoropropyl)prop-2-enamide (PubChem CID 19792309) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)prop-2-enamide
PubChem CID19792309
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC NameN-(3,3,3-trifluoropropyl)prop-2-enamide
SMILESC=CC(=O)NCCC(F)(F)F
InChIInChI=1S/C6H8F3NO/c1-2-5(11)10-4-3-6(7,8)9/h2H,1,3-4H2,(H,10,11)
InChIKeyVYDQLVREHTUCEP-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)prop-2-enamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)prop-2-enamide (CID 19792309) is N-(3,3,3-trifluoropropyl)prop-2-enamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)prop-2-enamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)prop-2-enamide is C=CC(=O)NCCC(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoropropyl)prop-2-enamide?
The InChIKey is VYDQLVREHTUCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-2-5(11)10-4-3-6(7,8)9/h2H,1,3-4H2,(H,10,11).
What are the key properties of N-(3,3,3-trifluoropropyl)prop-2-enamide?
N-(3,3,3-trifluoropropyl)prop-2-enamide has a molecular weight of 167.13 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)prop-2-enamide is sourced from PubChem (CID 19792309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).