2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide

C10H11F4NO2 — CID 151417681

IUPAC2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide
SMILESO=C(NCCCO)C1=C(F)C(F)(F)CC(F)=C1
InChIInChI=1S/C10H11F4NO2/c11-6-4-7(8(12)10(13,14)5-6)9(17)15-2-1-3-16/h4,16H,1-3,5H2,(H,15,17)
InChIKeyOZWATURAWLGKND-UHFFFAOYSA-N
MW253.19 g/mol
LogP1.60
Rot. Bonds4

About 2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide

2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 151417681) has the molecular formula C10H11F4NO2 and a molecular weight of 253.19 g/mol. Its IUPAC name is 2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID151417681
Molecular FormulaC10H11F4NO2
Molecular Weight253.19 g/mol
Exact Mass253.07
IUPAC Name2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide
SMILESO=C(NCCCO)C1=C(F)C(F)(F)CC(F)=C1
InChIInChI=1S/C10H11F4NO2/c11-6-4-7(8(12)10(13,14)5-6)9(17)15-2-1-3-16/h4,16H,1-3,5H2,(H,15,17)
InChIKeyOZWATURAWLGKND-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide (CID 151417681) is 2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide is O=C(NCCCO)C1=C(F)C(F)(F)CC(F)=C1.
What is the InChIKey of 2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is OZWATURAWLGKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO2/c11-6-4-7(8(12)10(13,14)5-6)9(17)15-2-1-3-16/h4,16H,1-3,5H2,(H,15,17).
What are the key properties of 2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide?
2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 253.19 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 151417681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).