2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide

C11H16F5NO2 — CID 176856944

IUPAC2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide
SMILESCC(C)[C@@H]1CCOC[C@H]1NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5NO2/c1-6(2)7-3-4-19-5-8(7)17-9(18)10(12,13)11(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18)/t7-,8+/m0/s1
InChIKeyCTEDTFXDVQQMLR-JGVFFNPUSA-N
MW289.24 g/mol
LogP2.36
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide

2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide (PubChem CID 176856944) has the molecular formula C11H16F5NO2 and a molecular weight of 289.24 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide
PubChem CID176856944
Molecular FormulaC11H16F5NO2
Molecular Weight289.24 g/mol
Exact Mass289.11
IUPAC Name2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide
SMILESCC(C)[C@@H]1CCOC[C@H]1NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F5NO2/c1-6(2)7-3-4-19-5-8(7)17-9(18)10(12,13)11(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18)/t7-,8+/m0/s1
InChIKeyCTEDTFXDVQQMLR-JGVFFNPUSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide (CID 176856944) is 2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide is CC(C)[C@@H]1CCOC[C@H]1NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide?
The InChIKey is CTEDTFXDVQQMLR-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16F5NO2/c1-6(2)7-3-4-19-5-8(7)17-9(18)10(12,13)11(14,15)16/h6-8H,3-5H2,1-2H3,(H,17,18)/t7-,8+/m0/s1.
What are the key properties of 2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide?
2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide has a molecular weight of 289.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide is sourced from PubChem (CID 176856944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).