N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide

C6H6F7NO2 — CID 23262877

IUPACN-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide
SMILESCCNC(=O)C(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F7NO2/c1-2-14-3(15)4(7,5(8,9)10)16-6(11,12)13/h2H2,1H3,(H,14,15)
InChIKeyDXRTZXNBENYRMB-UHFFFAOYSA-N
MW257.11 g/mol
LogP1.89
Rot. Bonds3

About N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide

N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide (PubChem CID 23262877) has the molecular formula C6H6F7NO2 and a molecular weight of 257.11 g/mol. Its IUPAC name is N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide.

Molecular Properties

Compound NameN-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide
PubChem CID23262877
Molecular FormulaC6H6F7NO2
Molecular Weight257.11 g/mol
Exact Mass257.03
IUPAC NameN-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide
SMILESCCNC(=O)C(F)(OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F7NO2/c1-2-14-3(15)4(7,5(8,9)10)16-6(11,12)13/h2H2,1H3,(H,14,15)
InChIKeyDXRTZXNBENYRMB-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide?
The IUPAC name of N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide (CID 23262877) is N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide.
What is the SMILES notation for N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide?
The canonical SMILES for N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide is CCNC(=O)C(F)(OC(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide?
The InChIKey is DXRTZXNBENYRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F7NO2/c1-2-14-3(15)4(7,5(8,9)10)16-6(11,12)13/h2H2,1H3,(H,14,15).
What are the key properties of N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide?
N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide has a molecular weight of 257.11 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanamide is sourced from PubChem (CID 23262877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).