N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide

C9H13F4NO — CID 103737217

IUPACN-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide
SMILESCCC1(CNC(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C9H13F4NO/c1-2-8(3-4-8)5-14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15)
InChIKeyYTQGDDXQSBBGTB-UHFFFAOYSA-N
MW227.20 g/mol
LogP2.19
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide

N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide (PubChem CID 103737217) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide
PubChem CID103737217
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide
SMILESCCC1(CNC(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C9H13F4NO/c1-2-8(3-4-8)5-14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15)
InChIKeyYTQGDDXQSBBGTB-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide (CID 103737217) is N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide is CCC1(CNC(=O)C(F)(F)C(F)F)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is YTQGDDXQSBBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO/c1-2-8(3-4-8)5-14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide?
N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 227.20 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103737217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).