pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol

C11H12F3NO — CID 103303135

IUPACpyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)cc1F)C1CCCN1
InChIInChI=1S/C11H12F3NO/c12-7-5-9(14)8(13)4-6(7)11(16)10-2-1-3-15-10/h4-5,10-11,15-16H,1-3H2
InChIKeyJNILJHZHCSXOAI-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.89
Rot. Bonds2

About pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol

pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol (PubChem CID 103303135) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Namepyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
PubChem CID103303135
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Namepyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)cc1F)C1CCCN1
InChIInChI=1S/C11H12F3NO/c12-7-5-9(14)8(13)4-6(7)11(16)10-2-1-3-15-10/h4-5,10-11,15-16H,1-3H2
InChIKeyJNILJHZHCSXOAI-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-2,5-difluorophenyl)-piperidin-2-ylmethanol
CID 64866828
(2-chloro-4,5-difluorophenyl)-piperidin-2-ylmethanol
CID 107476748
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
(R)-(2,3-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 148871488
(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 155010567
ethane;(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-2-ylmethanol
CID 142507550
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
(3-chloro-5-fluorophenyl)-[(2S)-piperidin-2-yl]methanol
CID 91365937
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol
CID 130713187
(3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol
CID 70010394

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol?
The IUPAC name of pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol (CID 103303135) is pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol.
What is the SMILES notation for pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol?
The canonical SMILES for pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol is OC(c1cc(F)c(F)cc1F)C1CCCN1.
What is the InChIKey of pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol?
The InChIKey is JNILJHZHCSXOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-7-5-9(14)8(13)4-6(7)11(16)10-2-1-3-15-10/h4-5,10-11,15-16H,1-3H2.
What are the key properties of pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol?
pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol has a molecular weight of 231.22 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 103303135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).