(3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide

C17H18F3NO4 — CID 26006934

IUPAC(3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide
SMILESO=C(C[C@](O)(c1ccco1)C(F)(F)F)NCCCOc1ccccc1
InChIInChI=1S/C17H18F3NO4/c18-17(19,20)16(23,14-8-4-10-25-14)12-15(22)21-9-5-11-24-13-6-2-1-3-7-13/h1-4,6-8,10,23H,5,9,11-12H2,(H,21,22)/t16-/m0/s1
InChIKeyPCROJWVEJNTWQZ-INIZCTEOSA-N
MW357.33 g/mol
LogP3.00
Rot. Bonds8

About (3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide

(3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide (PubChem CID 26006934) has the molecular formula C17H18F3NO4 and a molecular weight of 357.33 g/mol. Its IUPAC name is (3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide.

Molecular Properties

Compound Name(3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide
PubChem CID26006934
Molecular FormulaC17H18F3NO4
Molecular Weight357.33 g/mol
Exact Mass357.12
IUPAC Name(3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide
SMILESO=C(C[C@](O)(c1ccco1)C(F)(F)F)NCCCOc1ccccc1
InChIInChI=1S/C17H18F3NO4/c18-17(19,20)16(23,14-8-4-10-25-14)12-15(22)21-9-5-11-24-13-6-2-1-3-7-13/h1-4,6-8,10,23H,5,9,11-12H2,(H,21,22)/t16-/m0/s1
InChIKeyPCROJWVEJNTWQZ-INIZCTEOSA-N
XLogP3.00
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide?
The IUPAC name of (3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide (CID 26006934) is (3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide.
What is the SMILES notation for (3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide?
The canonical SMILES for (3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide is O=C(C[C@](O)(c1ccco1)C(F)(F)F)NCCCOc1ccccc1.
What is the InChIKey of (3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide?
The InChIKey is PCROJWVEJNTWQZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18F3NO4/c18-17(19,20)16(23,14-8-4-10-25-14)12-15(22)21-9-5-11-24-13-6-2-1-3-7-13/h1-4,6-8,10,23H,5,9,11-12H2,(H,21,22)/t16-/m0/s1.
What are the key properties of (3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide?
(3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide has a molecular weight of 357.33 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxy-N-(3-phenoxypropyl)butanamide is sourced from PubChem (CID 26006934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).