(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol

C11H10F5NO — CID 155010567

IUPAC(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
SMILESO[C@H](c1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCN1
InChIInChI=1S/C11H10F5NO/c12-6-5(11(18)4-2-1-3-17-4)7(13)9(15)10(16)8(6)14/h4,11,17-18H,1-3H2/t4-,11-/m0/s1
InChIKeyURLFCPKPZJVNTM-AUIPBDMJSA-N
MW267.20 g/mol
LogP2.17
Rot. Bonds2

About (R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol

(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 155010567) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is (R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
PubChem CID155010567
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
SMILESO[C@H](c1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCN1
InChIInChI=1S/C11H10F5NO/c12-6-5(11(18)4-2-1-3-17-4)7(13)9(15)10(16)8(6)14/h4,11,17-18H,1-3H2/t4-,11-/m0/s1
InChIKeyURLFCPKPZJVNTM-AUIPBDMJSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethane;(2,3,4,5,6-pentafluorophenyl)-pyrrolidin-2-ylmethanol
CID 142507550
pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
CID 103303135
(R)-(2,3-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 148871488
(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol
CID 64866585
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
(R)-cyclopenten-1-yl-[(2S)-pyrrolidin-2-yl]methanol
CID 130935112
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
2-[(2S)-pyrrolidin-2-yl]ethane-1,1,2-triol
CID 138712862
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
(3,5-difluoroanilino)-[(2R)-pyrrolidin-2-yl]methanol
CID 70010394
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494

Frequently Asked Questions

What is the IUPAC name of (R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of (R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol (CID 155010567) is (R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol is O[C@H](c1c(F)c(F)c(F)c(F)c1F)[C@@H]1CCCN1.
What is the InChIKey of (R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is URLFCPKPZJVNTM-AUIPBDMJSA-N. The full InChI is InChI=1S/C11H10F5NO/c12-6-5(11(18)4-2-1-3-17-4)7(13)9(15)10(16)8(6)14/h4,11,17-18H,1-3H2/t4-,11-/m0/s1.
What are the key properties of (R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
(R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 267.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2,3,4,5,6-pentafluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 155010567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).