3-(azetidin-2-ylmethyl)-5-fluorophenol

C10H12FNO — CID 84657924

IUPAC3-(azetidin-2-ylmethyl)-5-fluorophenol
SMILESOc1cc(F)cc(CC2CCN2)c1
InChIInChI=1S/C10H12FNO/c11-8-3-7(5-10(13)6-8)4-9-1-2-12-9/h3,5-6,9,12-13H,1-2,4H2
InChIKeyRFVGOUYEMLQACY-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.44
Rot. Bonds2

About 3-(azetidin-2-ylmethyl)-5-fluorophenol

3-(azetidin-2-ylmethyl)-5-fluorophenol (PubChem CID 84657924) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(azetidin-2-ylmethyl)-5-fluorophenol.

Molecular Properties

Compound Name3-(azetidin-2-ylmethyl)-5-fluorophenol
PubChem CID84657924
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(azetidin-2-ylmethyl)-5-fluorophenol
SMILESOc1cc(F)cc(CC2CCN2)c1
InChIInChI=1S/C10H12FNO/c11-8-3-7(5-10(13)6-8)4-9-1-2-12-9/h3,5-6,9,12-13H,1-2,4H2
InChIKeyRFVGOUYEMLQACY-UHFFFAOYSA-N
XLogP1.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
2-[(3,5-difluorophenyl)methyl]-4-methylpiperidine
CID 105409335
2-[2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 174722870
2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84677033
3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622268
3-fluoro-5-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117301523
3-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-5-fluorophenol
CID 104881363
5-[(2R,4R)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 66732779
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
acetic acid;5-[(2R,4S)-2-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-1,2-oxazol-3-one
CID 175285078
5-(cyclopropylmethyl)benzene-1,3-diol
CID 89372434
2-[(3-bromo-5-methylphenyl)methyl]azetidine
CID 84701852

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-2-ylmethyl)-5-fluorophenol?
The IUPAC name of 3-(azetidin-2-ylmethyl)-5-fluorophenol (CID 84657924) is 3-(azetidin-2-ylmethyl)-5-fluorophenol.
What is the SMILES notation for 3-(azetidin-2-ylmethyl)-5-fluorophenol?
The canonical SMILES for 3-(azetidin-2-ylmethyl)-5-fluorophenol is Oc1cc(F)cc(CC2CCN2)c1.
What is the InChIKey of 3-(azetidin-2-ylmethyl)-5-fluorophenol?
The InChIKey is RFVGOUYEMLQACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-3-7(5-10(13)6-8)4-9-1-2-12-9/h3,5-6,9,12-13H,1-2,4H2.
What are the key properties of 3-(azetidin-2-ylmethyl)-5-fluorophenol?
3-(azetidin-2-ylmethyl)-5-fluorophenol has a molecular weight of 181.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-2-ylmethyl)-5-fluorophenol is sourced from PubChem (CID 84657924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).