2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide

C10H13F4NO — CID 99859433

IUPAC2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
SMILESO=C(C[C@H]1C=CCC1)NCC(F)(F)C(F)F
InChIInChI=1S/C10H13F4NO/c11-9(12)10(13,14)6-15-8(16)5-7-3-1-2-4-7/h1,3,7,9H,2,4-6H2,(H,15,16)/t7-/m0/s1
InChIKeyUHTVBMSQNKHTTE-ZETCQYMHSA-N
MW239.21 g/mol
LogP2.36
Rot. Bonds5

About 2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide

2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide (PubChem CID 99859433) has the molecular formula C10H13F4NO and a molecular weight of 239.21 g/mol. Its IUPAC name is 2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
PubChem CID99859433
Molecular FormulaC10H13F4NO
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide
SMILESO=C(C[C@H]1C=CCC1)NCC(F)(F)C(F)F
InChIInChI=1S/C10H13F4NO/c11-9(12)10(13,14)6-15-8(16)5-7-3-1-2-4-7/h1,3,7,9H,2,4-6H2,(H,15,16)/t7-/m0/s1
InChIKeyUHTVBMSQNKHTTE-ZETCQYMHSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The IUPAC name of 2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide (CID 99859433) is 2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide.
What is the SMILES notation for 2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The canonical SMILES for 2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide is O=C(C[C@H]1C=CCC1)NCC(F)(F)C(F)F.
What is the InChIKey of 2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide?
The InChIKey is UHTVBMSQNKHTTE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F4NO/c11-9(12)10(13,14)6-15-8(16)5-7-3-1-2-4-7/h1,3,7,9H,2,4-6H2,(H,15,16)/t7-/m0/s1.
What are the key properties of 2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide?
2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide has a molecular weight of 239.21 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-cyclopent-2-en-1-yl]-N-(2,2,3,3-tetrafluoropropyl)acetamide is sourced from PubChem (CID 99859433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).