4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol

C13H18FNO — CID 105480756

IUPAC4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol
SMILESCC(F)(CC1CCNC1)c1ccc(O)cc1
InChIInChI=1S/C13H18FNO/c1-13(14,8-10-6-7-15-9-10)11-2-4-12(16)5-3-11/h2-5,10,15-16H,6-9H2,1H3
InChIKeyVOKRHIZKBGAECO-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.58
Rot. Bonds3

About 4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol

4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol (PubChem CID 105480756) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol.

Molecular Properties

Compound Name4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol
PubChem CID105480756
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol
SMILESCC(F)(CC1CCNC1)c1ccc(O)cc1
InChIInChI=1S/C13H18FNO/c1-13(14,8-10-6-7-15-9-10)11-2-4-12(16)5-3-11/h2-5,10,15-16H,6-9H2,1H3
InChIKeyVOKRHIZKBGAECO-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-1-piperidin-3-ylpropan-2-yl)phenol
CID 105499355
3-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431306
3-[2,2-difluoro-2-(4-methoxy-3-methylphenyl)ethyl]pyrrolidine
CID 116840190
3-[2,2-difluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine
CID 116840188
4-[1-(azetidin-2-yl)-1-fluoroethyl]phenol
CID 105449092
3-[[4-(1,1-difluoropropyl)phenyl]methyl]pyrrolidine
CID 116991916
3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine;hydrochloride
CID 131868892
3-[2-(4-ethoxy-3-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840215
2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054202
4-(1,1-difluoroethyl)-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115047377
3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]pyrrolidine
CID 116840192
2,3,3-trifluoro-2-methyl-4-pyrrolidin-3-ylbutan-1-amine
CID 143374848

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol?
The IUPAC name of 4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol (CID 105480756) is 4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol.
What is the SMILES notation for 4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol?
The canonical SMILES for 4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol is CC(F)(CC1CCNC1)c1ccc(O)cc1.
What is the InChIKey of 4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol?
The InChIKey is VOKRHIZKBGAECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(14,8-10-6-7-15-9-10)11-2-4-12(16)5-3-11/h2-5,10,15-16H,6-9H2,1H3.
What are the key properties of 4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol?
4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol has a molecular weight of 223.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-1-pyrrolidin-3-ylpropan-2-yl)phenol is sourced from PubChem (CID 105480756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).