4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol

C14H18F3NO — CID 82983584

IUPAC4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
SMILESCC1CN(Cc2ccc(O)c(C(F)(F)F)c2)CC1C
InChIInChI=1S/C14H18F3NO/c1-9-6-18(7-10(9)2)8-11-3-4-13(19)12(5-11)14(15,16)17/h3-5,9-10,19H,6-8H2,1-2H3
InChIKeyFGZFQFYLQWCRDH-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.50
Rot. Bonds2

About 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol

4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol (PubChem CID 82983584) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
PubChem CID82983584
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol
SMILESCC1CN(Cc2ccc(O)c(C(F)(F)F)c2)CC1C
InChIInChI=1S/C14H18F3NO/c1-9-6-18(7-10(9)2)8-11-3-4-13(19)12(5-11)14(15,16)17/h3-5,9-10,19H,6-8H2,1-2H3
InChIKeyFGZFQFYLQWCRDH-UHFFFAOYSA-N
XLogP3.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol (CID 82983584) is 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol is CC1CN(Cc2ccc(O)c(C(F)(F)F)c2)CC1C.
What is the InChIKey of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
The InChIKey is FGZFQFYLQWCRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-9-6-18(7-10(9)2)8-11-3-4-13(19)12(5-11)14(15,16)17/h3-5,9-10,19H,6-8H2,1-2H3.
What are the key properties of 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol?
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol has a molecular weight of 273.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 82983584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).