2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide

C9H12F5NO2 — CID 106119735

IUPAC2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(NCC1CCC(O)C1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c10-8(11,9(12,13)14)7(17)15-4-5-1-2-6(16)3-5/h5-6,16H,1-4H2,(H,15,17)
InChIKeySOGSCQUTDWBWOG-UHFFFAOYSA-N
MW261.19 g/mol
LogP1.46
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide

2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide (PubChem CID 106119735) has the molecular formula C9H12F5NO2 and a molecular weight of 261.19 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide
PubChem CID106119735
Molecular FormulaC9H12F5NO2
Molecular Weight261.19 g/mol
Exact Mass261.08
IUPAC Name2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(NCC1CCC(O)C1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F5NO2/c10-8(11,9(12,13)14)7(17)15-4-5-1-2-6(16)3-5/h5-6,16H,1-4H2,(H,15,17)
InChIKeySOGSCQUTDWBWOG-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 51.46
H-Bond Donors ≤ 52
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-[(3-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide (CID 106119735) is 2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide is O=C(NCC1CCC(O)C1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is SOGSCQUTDWBWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F5NO2/c10-8(11,9(12,13)14)7(17)15-4-5-1-2-6(16)3-5/h5-6,16H,1-4H2,(H,15,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 261.19 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 106119735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).