2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide

C9H13F4NO — CID 103737376

IUPAC2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide
SMILESCC1(CNC(=O)C(F)(F)C(F)F)CCC1
InChIInChI=1S/C9H13F4NO/c1-8(3-2-4-8)5-14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15)
InChIKeyMPOSIUDQZSIBAC-UHFFFAOYSA-N
MW227.20 g/mol
LogP2.19
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide

2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide (PubChem CID 103737376) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide
PubChem CID103737376
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC Name2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide
SMILESCC1(CNC(=O)C(F)(F)C(F)F)CCC1
InChIInChI=1S/C9H13F4NO/c1-8(3-2-4-8)5-14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15)
InChIKeyMPOSIUDQZSIBAC-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide (CID 103737376) is 2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide is CC1(CNC(=O)C(F)(F)C(F)F)CCC1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide?
The InChIKey is MPOSIUDQZSIBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO/c1-8(3-2-4-8)5-14-7(15)9(12,13)6(10)11/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide?
2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide has a molecular weight of 227.20 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide is sourced from PubChem (CID 103737376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).