4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol

C12H16FNO — CID 117298982

IUPAC4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol
SMILESCC1(c2cc(CF)ccc2O)CCCN1
InChIInChI=1S/C12H16FNO/c1-12(5-2-6-14-12)10-7-9(8-13)3-4-11(10)15/h3-4,7,14-15H,2,5-6,8H2,1H3
InChIKeyVGXZLVVISQSLSX-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.46
Rot. Bonds2

About 4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol

4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol (PubChem CID 117298982) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol
PubChem CID117298982
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol
SMILESCC1(c2cc(CF)ccc2O)CCCN1
InChIInChI=1S/C12H16FNO/c1-12(5-2-6-14-12)10-7-9(8-13)3-4-11(10)15/h3-4,7,14-15H,2,5-6,8H2,1H3
InChIKeyVGXZLVVISQSLSX-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol (CID 117298982) is 4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol is CC1(c2cc(CF)ccc2O)CCCN1.
What is the InChIKey of 4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol?
The InChIKey is VGXZLVVISQSLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(5-2-6-14-12)10-7-9(8-13)3-4-11(10)15/h3-4,7,14-15H,2,5-6,8H2,1H3.
What are the key properties of 4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol?
4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol has a molecular weight of 209.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 117298982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).