[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol

C12H16FNO — CID 145138522

IUPAC[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol
SMILESOCc1cc(F)ccc1CC1CCCN1
InChIInChI=1S/C12H16FNO/c13-11-4-3-9(10(6-11)8-15)7-12-2-1-5-14-12/h3-4,6,12,14-15H,1-2,5,7-8H2
InChIKeyILIRNXLYSFRZHU-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.61
Rot. Bonds3

About [5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol

[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol (PubChem CID 145138522) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol
PubChem CID145138522
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol
SMILESOCc1cc(F)ccc1CC1CCCN1
InChIInChI=1S/C12H16FNO/c13-11-4-3-9(10(6-11)8-15)7-12-2-1-5-14-12/h3-4,6,12,14-15H,1-2,5,7-8H2
InChIKeyILIRNXLYSFRZHU-UHFFFAOYSA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
[4-fluoro-2-[(2R)-pyrrolidin-2-yl]phenyl]methanol
CID 68912942
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
2-[(2,4-difluorophenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606887
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641
2-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 82612103
2-[(2,5-difluorophenyl)methoxymethyl]pyrrolidine
CID 62333624

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol?
The IUPAC name of [5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol (CID 145138522) is [5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol?
The canonical SMILES for [5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol is OCc1cc(F)ccc1CC1CCCN1.
What is the InChIKey of [5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol?
The InChIKey is ILIRNXLYSFRZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-4-3-9(10(6-11)8-15)7-12-2-1-5-14-12/h3-4,6,12,14-15H,1-2,5,7-8H2.
What are the key properties of [5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol?
[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol is sourced from PubChem (CID 145138522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).