3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol

C11H14FNO — CID 63587357

IUPAC3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESOC1(Cc2ccccc2F)CCNC1
InChIInChI=1S/C11H14FNO/c12-10-4-2-1-3-9(10)7-11(14)5-6-13-8-11/h1-4,13-14H,5-8H2
InChIKeyXHSGRCKBNYACIY-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.09
Rot. Bonds2

About 3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol

3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 63587357) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
PubChem CID63587357
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESOC1(Cc2ccccc2F)CCNC1
InChIInChI=1S/C11H14FNO/c12-10-4-2-1-3-9(10)7-11(14)5-6-13-8-11/h1-4,13-14H,5-8H2
InChIKeyXHSGRCKBNYACIY-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzyl-4-piperidinol
CID 98152
3-(4-Fluorophenyl)pyrrolidin-3-ol hydrochloride
CID 200556
3-Phenylpyrrolidin-3-ol hydrochloride
CID 200280
4-(4-Fluorophenyl)piperidin-4-ol
CID 77497
3-Phenylpyrrolidin-3-ol
CID 200281
3-(4-(Trifluoromethyl)phenyl)pyrrolidin-3-ol hydrochloride
CID 120895
2-Methyl-3-phenylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 3051393
3-Pyrrolidinol, 2,5-dimethyl-3-phenyl-, hydrochloride
CID 3051569
4-(2-Fluorophenyl)piperidin-4-ol
CID 5195439
3-(4-Fluorophenyl)pyrrolidin-3-ol
CID 200557
3-Pyrrolidinol, 2-methyl-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride
CID 120919
3-(4-Fluorophenyl)-5-methylpyrrolidin-3-ol--hydrogen chloride (1/1)
CID 200854

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol (CID 63587357) is 3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol is OC1(Cc2ccccc2F)CCNC1.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is XHSGRCKBNYACIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-10-4-2-1-3-9(10)7-11(14)5-6-13-8-11/h1-4,13-14H,5-8H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol?
3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 195.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 63587357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).