[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride

C11H15ClFNO — CID 122163804

IUPAC[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CNC[C@H]1c1cccc(F)c1
InChIInChI=1S/C11H14FNO.ClH/c12-10-3-1-2-8(4-10)11-6-13-5-9(11)7-14;/h1-4,9,11,13-14H,5-7H2;1H/t9-,11-;/m0./s1
InChIKeyPYYNKDCQYIKEEU-ROLPUNSJSA-N
MW231.70 g/mol
LogP1.54
Rot. Bonds2

About [(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride

[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride (PubChem CID 122163804) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is [(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
PubChem CID122163804
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCl.OC[C@@H]1CNC[C@H]1c1cccc(F)c1
InChIInChI=1S/C11H14FNO.ClH/c12-10-3-1-2-8(4-10)11-6-13-5-9(11)7-14;/h1-4,9,11,13-14H,5-7H2;1H/t9-,11-;/m0./s1
InChIKeyPYYNKDCQYIKEEU-ROLPUNSJSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-(3-fluorophenyl)-4-propylpyrrolidine
CID 125452265
[(3S,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 25220548
[(3R,4R)-4-(3-methylphenyl)pyrrolidin-3-yl]methanol
CID 98006633
[2-(3-fluorophenyl)cyclopropyl]methanol
CID 53275735
[2-(3-fluorophenyl)cyclobutyl]methanol
CID 105438736
[(3S,4R)-4-[3-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 129009069
[(2S,3R)-3-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 131114074
[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 71014411
[(3S,4R)-4-(2-fluorophenyl)pyrrolidin-3-yl]methanol
CID 25220547
[4-(4-chloro-2-fluorophenyl)pyrrolidin-3-yl]methanol
CID 71831040
3-(3-fluorophenyl)azetidine;heptane;hydrochloride
CID 175294675
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride?
The IUPAC name of [(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride (CID 122163804) is [(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride is Cl.OC[C@@H]1CNC[C@H]1c1cccc(F)c1.
What is the InChIKey of [(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride?
The InChIKey is PYYNKDCQYIKEEU-ROLPUNSJSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c12-10-3-1-2-8(4-10)11-6-13-5-9(11)7-14;/h1-4,9,11,13-14H,5-7H2;1H/t9-,11-;/m0./s1.
What are the key properties of [(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride?
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 122163804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).