N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide

C14H16F3NO2 — CID 56764194

IUPACN-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)C1CCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)13(20,11-7-2-1-3-8-11)9-18-12(19)10-5-4-6-10/h1-3,7-8,10,20H,4-6,9H2,(H,18,19)
InChIKeyPCGNCVPBYXESHS-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.35
Rot. Bonds4

About N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide

N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide (PubChem CID 56764194) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide
PubChem CID56764194
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC NameN-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide
SMILESO=C(NCC(O)(c1ccccc1)C(F)(F)F)C1CCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)13(20,11-7-2-1-3-8-11)9-18-12(19)10-5-4-6-10/h1-3,7-8,10,20H,4-6,9H2,(H,18,19)
InChIKeyPCGNCVPBYXESHS-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide (CID 56764194) is N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide is O=C(NCC(O)(c1ccccc1)C(F)(F)F)C1CCC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide?
The InChIKey is PCGNCVPBYXESHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)13(20,11-7-2-1-3-8-11)9-18-12(19)10-5-4-6-10/h1-3,7-8,10,20H,4-6,9H2,(H,18,19).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide?
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide has a molecular weight of 287.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclobutanecarboxamide is sourced from PubChem (CID 56764194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).