3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide

C9H14F3NO2 — CID 103279729

IUPAC3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(CC(F)(F)F)NCC1CCC(O)C1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)4-8(15)13-5-6-1-2-7(14)3-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyAQKJZDOGSNIONS-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.22
Rot. Bonds3

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

3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide (PubChem CID 103279729) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide
PubChem CID103279729
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(CC(F)(F)F)NCC1CCC(O)C1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)4-8(15)13-5-6-1-2-7(14)3-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyAQKJZDOGSNIONS-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide (CID 103279729) is 3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide is O=C(CC(F)(F)F)NCC1CCC(O)C1.
What is the InChIKey of 3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is AQKJZDOGSNIONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)4-8(15)13-5-6-1-2-7(14)3-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of 3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide?
3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 225.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 103279729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).