2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol

C12H14F3NO — CID 117364506

IUPAC2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1CC1CCCN1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)9-3-4-11(17)8(6-9)7-10-2-1-5-16-10/h3-4,6,10,16-17H,1-2,5,7H2
InChIKeyWZVAWLXBAVMYTM-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.71
Rot. Bonds2

About 2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol

2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol (PubChem CID 117364506) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
PubChem CID117364506
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol
SMILESOc1ccc(C(F)(F)F)cc1CC1CCCN1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)9-3-4-11(17)8(6-9)7-10-2-1-5-16-10/h3-4,6,10,16-17H,1-2,5,7H2
InChIKeyWZVAWLXBAVMYTM-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-(pyrrolidin-2-ylmethyl)phenol
CID 82606248
2-(pyrrolidin-2-ylmethyl)benzene-1,4-diol
CID 117283565
2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 62115930
4-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117368692
2-[[5-(1,1-difluoroethyl)-2-fluorophenyl]methyl]pyrrolidine
CID 117359803
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]azetidine
CID 154541164
5-tert-butyl-3-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117377108
4-fluoro-5-methyl-2-(pyrrolidin-2-ylmethyl)phenol
CID 117298865
2,3-difluoro-4-(piperidin-2-ylmethyl)phenol
CID 117326852
2-chloro-4-(piperidin-2-ylmethyl)-5-(trifluoromethyl)phenol
CID 117473840
4-nitro-2-(piperidin-2-ylmethyl)phenol
CID 117344884
2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117473874

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol (CID 117364506) is 2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol is Oc1ccc(C(F)(F)F)cc1CC1CCCN1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol?
The InChIKey is WZVAWLXBAVMYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)9-3-4-11(17)8(6-9)7-10-2-1-5-16-10/h3-4,6,10,16-17H,1-2,5,7H2.
What are the key properties of 2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol?
2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol has a molecular weight of 245.24 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 117364506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).