5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride

C10H13ClFNO — CID 71757334

IUPAC5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNC(c2ccc(F)cc2)C1
InChIInChI=1S/C10H12FNO.ClH/c11-8-3-1-7(2-4-8)10-5-9(13)6-12-10;/h1-4,9-10,12-13H,5-6H2;1H
InChIKeyTVCVIKMYBMTCTE-UHFFFAOYSA-N
MW217.67 g/mol
LogP1.64
Rot. Bonds1

About 5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride

5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 71757334) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is 5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride
PubChem CID71757334
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Name5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNC(c2ccc(F)cc2)C1
InChIInChI=1S/C10H12FNO.ClH/c11-8-3-1-7(2-4-8)10-5-9(13)6-12-10;/h1-4,9-10,12-13H,5-6H2;1H
InChIKeyTVCVIKMYBMTCTE-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R,4S,5S)-2-(Hydroxymethyl)-5-phenylpyrrolidine-3,4-diol
CID 9837195
(2R,3R,4S)-2-((((1R)-2-hydroxy-1-phenylethyl)amino)methyl)pyrrolidine-3,4-diol
CID 11425273
(R)-3-Phenyl-2-(benzylamino)-1-propanol
CID 10900780
2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650
2-{[(4-Fluorophenyl)methyl]amino}ethan-1-ol
CID 3614545
(R)-(-)-N-Benzyl-2-phenylglycinol
CID 10656907
(2S,3S,4S,5S)-2-[4-(4-fluorophenyl)butyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 102343110
(2S,3S,4S)-2-(hydroxymethyl)-2-phenylpyrrolidine-3,4-diol
CID 168278373
(2S,3S,4S)-2-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 168281304
(2R,3R,4R)-2-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 168286908
(2R,3R,4R)-2-(4-phenylphenyl)pyrrolidine-3,4-diol;hydrochloride
CID 168293905

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride (CID 71757334) is 5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride is Cl.OC1CNC(c2ccc(F)cc2)C1.
What is the InChIKey of 5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is TVCVIKMYBMTCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO.ClH/c11-8-3-1-7(2-4-8)10-5-9(13)6-12-10;/h1-4,9-10,12-13H,5-6H2;1H.
What are the key properties of 5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride?
5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 217.67 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 71757334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).