4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide

C15H20F3NO4 — CID 110008785

IUPAC4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide
SMILESCc1ccc(C(O)(CC(=O)NC2(CO)CCCC2)C(F)(F)F)o1
InChIInChI=1S/C15H20F3NO4/c1-10-4-5-11(23-10)14(22,15(16,17)18)8-12(21)19-13(9-20)6-2-3-7-13/h4-5,20,22H,2-3,6-9H2,1H3,(H,19,21)
InChIKeyCQIHPXALXPFYRX-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.15
Rot. Bonds5

About 4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide

4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide (PubChem CID 110008785) has the molecular formula C15H20F3NO4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide
PubChem CID110008785
Molecular FormulaC15H20F3NO4
Molecular Weight335.32 g/mol
Exact Mass335.13
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide
SMILESCc1ccc(C(O)(CC(=O)NC2(CO)CCCC2)C(F)(F)F)o1
InChIInChI=1S/C15H20F3NO4/c1-10-4-5-11(23-10)14(22,15(16,17)18)8-12(21)19-13(9-20)6-2-3-7-13/h4-5,20,22H,2-3,6-9H2,1H3,(H,19,21)
InChIKeyCQIHPXALXPFYRX-UHFFFAOYSA-N
XLogP2.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide (CID 110008785) is 4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide is Cc1ccc(C(O)(CC(=O)NC2(CO)CCCC2)C(F)(F)F)o1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide?
The InChIKey is CQIHPXALXPFYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO4/c1-10-4-5-11(23-10)14(22,15(16,17)18)8-12(21)19-13(9-20)6-2-3-7-13/h4-5,20,22H,2-3,6-9H2,1H3,(H,19,21).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide has a molecular weight of 335.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide is sourced from PubChem (CID 110008785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).