4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide

C10H16F3NO2 — CID 103279841

IUPAC4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1CCC(O)C1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)4-3-9(16)14-6-7-1-2-8(15)5-7/h7-8,15H,1-6H2,(H,14,16)
InChIKeyZHZXUHHRQWVDIJ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds4

About 4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide

4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide (PubChem CID 103279841) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide
PubChem CID103279841
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1CCC(O)C1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)4-3-9(16)14-6-7-1-2-8(15)5-7/h7-8,15H,1-6H2,(H,14,16)
InChIKeyZHZXUHHRQWVDIJ-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide (CID 103279841) is 4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide is O=C(CCC(F)(F)F)NCC1CCC(O)C1.
What is the InChIKey of 4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide?
The InChIKey is ZHZXUHHRQWVDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)4-3-9(16)14-6-7-1-2-8(15)5-7/h7-8,15H,1-6H2,(H,14,16).
What are the key properties of 4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide?
4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3-hydroxycyclopentyl)methyl]butanamide is sourced from PubChem (CID 103279841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).