4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride

C11H15ClFNO — CID 115038604

IUPAC4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride
SMILESCC1(c2ccc(O)cc2)NCCC1F.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-11(10(12)6-7-13-11)8-2-4-9(14)5-3-8;/h2-5,10,13-14H,6-7H2,1H3;1H
InChIKeyJXFQKVMCNJRZGC-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.36
Rot. Bonds1

About 4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride

4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride (PubChem CID 115038604) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride
PubChem CID115038604
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride
SMILESCC1(c2ccc(O)cc2)NCCC1F.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-11(10(12)6-7-13-11)8-2-4-9(14)5-3-8;/h2-5,10,13-14H,6-7H2,1H3;1H
InChIKeyJXFQKVMCNJRZGC-UHFFFAOYSA-N
XLogP2.36
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride?
The IUPAC name of 4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride (CID 115038604) is 4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride.
What is the SMILES notation for 4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride?
The canonical SMILES for 4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride is CC1(c2ccc(O)cc2)NCCC1F.Cl.
What is the InChIKey of 4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride?
The InChIKey is JXFQKVMCNJRZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-11(10(12)6-7-13-11)8-2-4-9(14)5-3-8;/h2-5,10,13-14H,6-7H2,1H3;1H.
What are the key properties of 4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride?
4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-methylpyrrolidin-2-yl)phenol;hydrochloride is sourced from PubChem (CID 115038604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).