5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride

C10H12ClF2NO — CID 71757468

IUPAC5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H11F2NO.ClH/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10;/h1-3,7,10,13-14H,4-5H2;1H
InChIKeyPFZOKPFCEFRZMJ-UHFFFAOYSA-N
MW235.66 g/mol
LogP1.78
Rot. Bonds1

About 5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride

5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride (PubChem CID 71757468) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride
PubChem CID71757468
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNC(c2ccc(F)c(F)c2)C1
InChIInChI=1S/C10H11F2NO.ClH/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10;/h1-3,7,10,13-14H,4-5H2;1H
InChIKeyPFZOKPFCEFRZMJ-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 51.78
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
3-(Benzylamino)-1,1,1-trifluoropropan-2-ol
CID 3787794
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650
(2S,3S,4S,5S)-2-[4-(4-fluorophenyl)butyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 102343110
(2S,3S,4S,5S)-2-[4-(3,5-difluorophenyl)butyl]-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 118707316
(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
(3R,5R)-5-[(4-octylphenyl)methyl]pyrrolidin-3-ol
CID 145980599
1-Propanol, 2-(benzylamino)-3-phenyl-, DL-
CID 209452
2-Phenylpiperidin-4-ol
CID 23042273

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride (CID 71757468) is 5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride is Cl.OC1CNC(c2ccc(F)c(F)c2)C1.
What is the InChIKey of 5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is PFZOKPFCEFRZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO.ClH/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10;/h1-3,7,10,13-14H,4-5H2;1H.
What are the key properties of 5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride?
5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 235.66 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 71757468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).