methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine

C14H20F3NO — CID 144502021

IUPACmethanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCC1CCCN1Cc1cccc(C(F)(F)F)c1.CO
InChIInChI=1S/C13H16F3N.CH4O/c1-10-4-3-7-17(10)9-11-5-2-6-12(8-11)13(14,15)16;1-2/h2,5-6,8,10H,3-4,7,9H2,1H3;2H,1H3
InChIKeyDZMMLHXJFGHTDB-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.30
Rot. Bonds2

About methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine

methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine (PubChem CID 144502021) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine.

Molecular Properties

Compound Namemethanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
PubChem CID144502021
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Namemethanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
SMILESCC1CCCN1Cc1cccc(C(F)(F)F)c1.CO
InChIInChI=1S/C13H16F3N.CH4O/c1-10-4-3-7-17(10)9-11-5-2-6-12(8-11)13(14,15)16;1-2/h2,5-6,8,10H,3-4,7,9H2,1H3;2H,1H3
InChIKeyDZMMLHXJFGHTDB-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The IUPAC name of methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine (CID 144502021) is methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine.
What is the SMILES notation for methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The canonical SMILES for methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine is CC1CCCN1Cc1cccc(C(F)(F)F)c1.CO.
What is the InChIKey of methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
The InChIKey is DZMMLHXJFGHTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N.CH4O/c1-10-4-3-7-17(10)9-11-5-2-6-12(8-11)13(14,15)16;1-2/h2,5-6,8,10H,3-4,7,9H2,1H3;2H,1H3.
What are the key properties of methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine?
methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine has a molecular weight of 275.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine is sourced from PubChem (CID 144502021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).