2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide

C7H10F3NO2 — CID 90093180

IUPAC2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide
SMILESC=CC(O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-5(12)3-4-11-6(13)7(8,9)10/h2,5,12H,1,3-4H2,(H,11,13)
InChIKeyLJBPRPWOLSSVQV-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.60
Rot. Bonds4

About 2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide

2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide (PubChem CID 90093180) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide
PubChem CID90093180
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide
SMILESC=CC(O)CCNC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-5(12)3-4-11-6(13)7(8,9)10/h2,5,12H,1,3-4H2,(H,11,13)
InChIKeyLJBPRPWOLSSVQV-UHFFFAOYSA-N
XLogP0.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide (CID 90093180) is 2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide is C=CC(O)CCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide?
The InChIKey is LJBPRPWOLSSVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-5(12)3-4-11-6(13)7(8,9)10/h2,5,12H,1,3-4H2,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide?
2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide has a molecular weight of 197.16 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-hydroxypent-4-enyl)acetamide is sourced from PubChem (CID 90093180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).