4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol

C11H14FNO — CID 82606248

IUPAC4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
SMILESOc1ccc(F)cc1CC1CCCN1
InChIInChI=1S/C11H14FNO/c12-9-3-4-11(14)8(6-9)7-10-2-1-5-13-10/h3-4,6,10,13-14H,1-2,5,7H2
InChIKeyLMSZOPGMDMZOQJ-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.83
Rot. Bonds2

About 4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol

4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 82606248) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
PubChem CID82606248
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
SMILESOc1ccc(F)cc1CC1CCCN1
InChIInChI=1S/C11H14FNO/c12-9-3-4-11(14)8(6-9)7-10-2-1-5-13-10/h3-4,6,10,13-14H,1-2,5,7H2
InChIKeyLMSZOPGMDMZOQJ-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
CID 117283565
[5-fluoro-2-(pyrrolidin-2-ylmethyl)phenyl]methanol
CID 145138522
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
CID 117364506
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117368692
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
4-fluoro-2-[[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107699282
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641
2-fluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 82606233
4-fluoro-5-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320372
5-fluoro-3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indole
CID 96783850
5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol (CID 82606248) is 4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol is Oc1ccc(F)cc1CC1CCCN1.
What is the InChIKey of 4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is LMSZOPGMDMZOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-3-4-11(14)8(6-9)7-10-2-1-5-13-10/h3-4,6,10,13-14H,1-2,5,7H2.
What are the key properties of 4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol?
4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 195.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 82606248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).