2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol

C11H14FNO2 — CID 84781540

IUPAC2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
SMILESOc1ccc(CC2CCNC2)c(O)c1F
InChIInChI=1S/C11H14FNO2/c12-10-9(14)2-1-8(11(10)15)5-7-3-4-13-6-7/h1-2,7,13-15H,3-6H2
InChIKeyWAMMGXCKTDNHJE-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.39
Rot. Bonds2

About 2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol

2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol (PubChem CID 84781540) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
PubChem CID84781540
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
SMILESOc1ccc(CC2CCNC2)c(O)c1F
InChIInChI=1S/C11H14FNO2/c12-10-9(14)2-1-8(11(10)15)5-7-3-4-13-6-7/h1-2,7,13-15H,3-6H2
InChIKeyWAMMGXCKTDNHJE-UHFFFAOYSA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4-trifluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84794176
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
2-chloro-3-methyl-6-(pyrrolidin-3-ylmethyl)phenol
CID 84790581
2-fluoro-4-(piperidin-2-ylmethyl)benzene-1,3-diol
CID 117323641
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
CID 84787993
4-chloro-2-fluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84793216
5-bromo-3-(pyrrolidin-3-ylmethyl)benzene-1,2-diol
CID 84809503
2,3,4-trifluoro-6-(piperidin-4-ylmethyl)phenol
CID 117364515
4-bromo-2-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814289
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol?
The IUPAC name of 2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol (CID 84781540) is 2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol.
What is the SMILES notation for 2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol?
The canonical SMILES for 2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol is Oc1ccc(CC2CCNC2)c(O)c1F.
What is the InChIKey of 2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol?
The InChIKey is WAMMGXCKTDNHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-10-9(14)2-1-8(11(10)15)5-7-3-4-13-6-7/h1-2,7,13-15H,3-6H2.
What are the key properties of 2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol?
2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol has a molecular weight of 211.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol is sourced from PubChem (CID 84781540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).