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

C12H14F3NO — CID 117364454

IUPAC2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol
SMILESCC1(c2cc(C(F)(F)F)ccc2O)CCCN1
InChIInChI=1S/C12H14F3NO/c1-11(5-2-6-16-11)9-7-8(12(13,14)15)3-4-10(9)17/h3-4,7,16-17H,2,5-6H2,1H3
InChIKeyFPJUHTKWTFXYDL-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.01
Rot. Bonds1

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

2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol (PubChem CID 117364454) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol
PubChem CID117364454
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol
SMILESCC1(c2cc(C(F)(F)F)ccc2O)CCCN1
InChIInChI=1S/C12H14F3NO/c1-11(5-2-6-16-11)9-7-8(12(13,14)15)3-4-10(9)17/h3-4,7,16-17H,2,5-6H2,1H3
InChIKeyFPJUHTKWTFXYDL-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.01
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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Related Compounds

2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpyrrolidine
CID 117351178
4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
CID 117303885
2-chloro-4-(2-methylpyrrolidin-2-yl)-5-(trifluoromethyl)phenol
CID 117448659
2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117437562
2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
CID 117333734
3-bromo-4-(2-methylpyrrolidin-2-yl)phenol
CID 82623381
2-(3-fluoro-2-methylsulfanylphenyl)-2-methylpyrrolidine
CID 117324202
2-methyl-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]pyrrolidine
CID 117463453
4-[2-methyl-4-(trifluoromethyl)phenyl]azepan-4-ol
CID 102751913
(2-methylpyrrolidin-2-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 116580532
[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium
CID 177136482
6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117372312

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol (CID 117364454) is 2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol is CC1(c2cc(C(F)(F)F)ccc2O)CCCN1.
What is the InChIKey of 2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol?
The InChIKey is FPJUHTKWTFXYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-11(5-2-6-16-11)9-7-8(12(13,14)15)3-4-10(9)17/h3-4,7,16-17H,2,5-6H2,1H3.
What are the key properties of 2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol?
2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol has a molecular weight of 245.24 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 117364454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).