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

C9H15F3N2O2 — CID 120943840

IUPAC4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1CNCC1O
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)2-1-8(16)14-4-6-3-13-5-7(6)15/h6-7,13,15H,1-5H2,(H,14,16)
InChIKeyIXGMWMRWYSPUKT-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.03
Rot. Bonds4

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

4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide (PubChem CID 120943840) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide
PubChem CID120943840
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1CNCC1O
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)2-1-8(16)14-4-6-3-13-5-7(6)15/h6-7,13,15H,1-5H2,(H,14,16)
InChIKeyIXGMWMRWYSPUKT-UHFFFAOYSA-N
XLogP0.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide (CID 120943840) is 4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide is O=C(CCC(F)(F)F)NCC1CNCC1O.
What is the InChIKey of 4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide?
The InChIKey is IXGMWMRWYSPUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)2-1-8(16)14-4-6-3-13-5-7(6)15/h6-7,13,15H,1-5H2,(H,14,16).
What are the key properties of 4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide?
4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide has a molecular weight of 240.22 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide is sourced from PubChem (CID 120943840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).