N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide

C14H20F7NO — CID 21049855

IUPACN-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CCCCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F7NO/c1-3-11(23)22(4-2)10-8-6-5-7-9-12(15,13(16,17)18)14(19,20)21/h3H,1,4-10H2,2H3
InChIKeyVHMAVHDFXZMIPS-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.80
Rot. Bonds9

About N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide

N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide (PubChem CID 21049855) has the molecular formula C14H20F7NO and a molecular weight of 351.31 g/mol. Its IUPAC name is N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide
PubChem CID21049855
Molecular FormulaC14H20F7NO
Molecular Weight351.31 g/mol
Exact Mass351.14
IUPAC NameN-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide
SMILESC=CC(=O)N(CC)CCCCCCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F7NO/c1-3-11(23)22(4-2)10-8-6-5-7-9-12(15,13(16,17)18)14(19,20)21/h3H,1,4-10H2,2H3
InChIKeyVHMAVHDFXZMIPS-UHFFFAOYSA-N
XLogP4.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide (CID 21049855) is N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide is C=CC(=O)N(CC)CCCCCCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide?
The InChIKey is VHMAVHDFXZMIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F7NO/c1-3-11(23)22(4-2)10-8-6-5-7-9-12(15,13(16,17)18)14(19,20)21/h3H,1,4-10H2,2H3.
What are the key properties of N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide?
N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide has a molecular weight of 351.31 g/mol, XLogP of 4.80, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[7,8,8,8-tetrafluoro-7-(trifluoromethyl)octyl]prop-2-enamide is sourced from PubChem (CID 21049855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).