ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol

C13H20FNO — CID 142546484

IUPACethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
SMILESCC.OC(c1cccc(F)c1)[C@@H]1CCCN1
InChIInChI=1S/C11H14FNO.C2H6/c12-9-4-1-3-8(7-9)11(14)10-5-2-6-13-10;1-2/h1,3-4,7,10-11,13-14H,2,5-6H2;1-2H3/t10-,11?;/m0./s1
InChIKeyUAGPJOIILAWXQX-JMFXEUCVSA-N
MW225.31 g/mol
LogP2.64
Rot. Bonds2

About ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol

ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 142546484) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Nameethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
PubChem CID142546484
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Nameethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
SMILESCC.OC(c1cccc(F)c1)[C@@H]1CCCN1
InChIInChI=1S/C11H14FNO.C2H6/c12-9-4-1-3-8(7-9)11(14)10-5-2-6-13-10;1-2/h1,3-4,7,10-11,13-14H,2,5-6H2;1-2H3/t10-,11?;/m0./s1
InChIKeyUAGPJOIILAWXQX-JMFXEUCVSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3-fluorophenyl)-pyrrolidin-2-ylmethanol;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 155698677
3-[hydroxy(pyrrolidin-2-yl)methyl]phenol
CID 83484257
(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
CID 155127031
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
(3-propylphenyl)-pyrrolidin-2-ylmethanol
CID 106640142
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
CID 155134327
(3-methoxyphenyl)-[(2S)-piperidin-2-yl]methanol
CID 69187424
piperidin-2-yl-[3-(trifluoromethyl)phenyl]methanol
CID 23467209
(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
CID 155126943
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395

Frequently Asked Questions

What is the IUPAC name of ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol (CID 142546484) is ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol is CC.OC(c1cccc(F)c1)[C@@H]1CCCN1.
What is the InChIKey of ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is UAGPJOIILAWXQX-JMFXEUCVSA-N. The full InChI is InChI=1S/C11H14FNO.C2H6/c12-9-4-1-3-8(7-9)11(14)10-5-2-6-13-10;1-2/h1,3-4,7,10-11,13-14H,2,5-6H2;1-2H3/t10-,11?;/m0./s1.
What are the key properties of ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol?
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 225.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 142546484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).