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

C11H14FNO — CID 131114074

IUPAC[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1NCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c12-9-3-1-2-8(6-9)10-4-5-13-11(10)7-14/h1-3,6,10-11,13-14H,4-5,7H2/t10-,11-/m1/s1
InChIKeyGTQOAEWOGPUJFL-GHMZBOCLSA-N
MW195.24 g/mol
LogP1.26
Rot. Bonds2

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

[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol (PubChem CID 131114074) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is [(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
PubChem CID131114074
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1NCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c12-9-3-1-2-8(6-9)10-4-5-13-11(10)7-14/h1-3,6,10-11,13-14H,4-5,7H2/t10-,11-/m1/s1
InChIKeyGTQOAEWOGPUJFL-GHMZBOCLSA-N
XLogP1.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
[(2R,3S)-3-(3-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 131873349
(2R,3S)-3-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 97001038
[2-(3-fluorophenyl)cyclobutyl]methanol
CID 105438736
[2-(3-fluorophenyl)cyclopropyl]methanol
CID 53275735
(2R,3S)-2-(3-fluorophenyl)-3-phenylpyrrolidine
CID 101397690
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
[3-(3,4-difluorophenyl)piperidin-2-yl]methanol
CID 117000541
2-(3-fluorophenyl)-3-methylpyrrolidine
CID 3582862
3-ethyl-2-(3-fluorophenyl)pyrrolidine
CID 3903134
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol (CID 131114074) is [(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol is OC[C@H]1NCC[C@@H]1c1cccc(F)c1.
What is the InChIKey of [(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol?
The InChIKey is GTQOAEWOGPUJFL-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-3-1-2-8(6-9)10-4-5-13-11(10)7-14/h1-3,6,10-11,13-14H,4-5,7H2/t10-,11-/m1/s1.
What are the key properties of [(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol?
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol has a molecular weight of 195.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 131114074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).