[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol

C11H12F3NO — CID 64868848

IUPAC[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cc(F)c(F)cc2F)C1
InChIInChI=1S/C11H12F3NO/c12-8-3-10(14)11(4-9(8)13)15-2-1-7(5-15)6-16/h3-4,7,16H,1-2,5-6H2
InChIKeyHKYDOHNFCIMXFJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.92
Rot. Bonds2

About [1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol

[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 64868848) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is [1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
PubChem CID64868848
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2cc(F)c(F)cc2F)C1
InChIInChI=1S/C11H12F3NO/c12-8-3-10(14)11(4-9(8)13)15-2-1-7(5-15)6-16/h3-4,7,16H,1-2,5-6H2
InChIKeyHKYDOHNFCIMXFJ-UHFFFAOYSA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol (CID 64868848) is [1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol is OCC1CCN(c2cc(F)c(F)cc2F)C1.
What is the InChIKey of [1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is HKYDOHNFCIMXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-8-3-10(14)11(4-9(8)13)15-2-1-7(5-15)6-16/h3-4,7,16H,1-2,5-6H2.
What are the key properties of [1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol?
[1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 231.22 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64868848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).