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

C13H18FNO — CID 105480753

IUPAC3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol
SMILESCC(F)(CC1CCCN1)c1cccc(O)c1
InChIInChI=1S/C13H18FNO/c1-13(14,9-11-5-3-7-15-11)10-4-2-6-12(16)8-10/h2,4,6,8,11,15-16H,3,5,7,9H2,1H3
InChIKeyVIPIKQGEVJXBFJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.72
Rot. Bonds3

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

3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol (PubChem CID 105480753) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol.

Molecular Properties

Compound Name3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol
PubChem CID105480753
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol
SMILESCC(F)(CC1CCCN1)c1cccc(O)c1
InChIInChI=1S/C13H18FNO/c1-13(14,9-11-5-3-7-15-11)10-4-2-6-12(16)8-10/h2,4,6,8,11,15-16H,3,5,7,9H2,1H3
InChIKeyVIPIKQGEVJXBFJ-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)-1H-pyrrole
CID 130992693
3-[methyl(pyrrolidin-2-ylmethyl)amino]phenol
CID 84674469
1,1-diphenyl-2-[(2R)-pyrrolidin-2-yl]ethanol
CID 89497125
3-(2-hydroxy-1-piperidin-4-ylpropan-2-yl)phenol
CID 105496580
2-methyl-2-phenyl-3-pyrrolidin-2-ylpropanamide
CID 174669006
3-[azepan-4-yl(difluoro)methyl]phenol
CID 84728175
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethylamino)phenol
CID 115047766
2-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431305
3-(2-pyrrolidin-2-ylethylsulfanyl)phenol
CID 84688729
2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol?
The IUPAC name of 3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol (CID 105480753) is 3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol.
What is the SMILES notation for 3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol?
The canonical SMILES for 3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol is CC(F)(CC1CCCN1)c1cccc(O)c1.
What is the InChIKey of 3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol?
The InChIKey is VIPIKQGEVJXBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(14,9-11-5-3-7-15-11)10-4-2-6-12(16)8-10/h2,4,6,8,11,15-16H,3,5,7,9H2,1H3.
What are the key properties of 3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol?
3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol has a molecular weight of 223.29 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)phenol is sourced from PubChem (CID 105480753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).