(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol

C11H13F2NO — CID 93183518

IUPAC(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
SMILESO[C@H](c1ccc(F)c(F)c1)[C@@H]1CCCN1
InChIInChI=1S/C11H13F2NO/c12-8-4-3-7(6-9(8)13)11(15)10-2-1-5-14-10/h3-4,6,10-11,14-15H,1-2,5H2/t10-,11+/m0/s1
InChIKeySRKNLOOZDMHLSC-WDEREUQCSA-N
MW213.23 g/mol
LogP1.75
Rot. Bonds2

About (R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol

(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 93183518) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
PubChem CID93183518
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
SMILESO[C@H](c1ccc(F)c(F)c1)[C@@H]1CCCN1
InChIInChI=1S/C11H13F2NO/c12-8-4-3-7(6-9(8)13)11(15)10-2-1-5-14-10/h3-4,6,10-11,14-15H,1-2,5H2/t10-,11+/m0/s1
InChIKeySRKNLOOZDMHLSC-WDEREUQCSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-2-yl-(3-chloro-4-fluorophenyl)methanol
CID 81155319
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
pyrrolidin-2-yl-(2,4,5-trifluorophenyl)methanol
CID 103303135
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257
ethane;(3-fluorophenyl)-pyrrolidin-2-ylmethanol;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 155698677
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
6-[hydroxy(pyrrolidin-2-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 64868082
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of (R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol (CID 93183518) is (R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol is O[C@H](c1ccc(F)c(F)c1)[C@@H]1CCCN1.
What is the InChIKey of (R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is SRKNLOOZDMHLSC-WDEREUQCSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-8-4-3-7(6-9(8)13)11(15)10-2-1-5-14-10/h3-4,6,10-11,14-15H,1-2,5H2/t10-,11+/m0/s1.
What are the key properties of (R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 213.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 93183518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).