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

C13H16F5NO — CID 144502004

IUPAC3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol
SMILESCO.FC1(F)CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H12F5N.CH4O/c13-11(14)4-5-18(8-11)7-9-2-1-3-10(6-9)12(15,16)17;1-2/h1-3,6H,4-5,7-8H2;2H,1H3
InChIKeyFHZKGCZRUDNBIJ-UHFFFAOYSA-N
MW297.27 g/mol
LogP3.15
Rot. Bonds2

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

3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol (PubChem CID 144502004) has the molecular formula C13H16F5NO and a molecular weight of 297.27 g/mol. Its IUPAC name is 3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol.

Molecular Properties

Compound Name3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol
PubChem CID144502004
Molecular FormulaC13H16F5NO
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Name3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol
SMILESCO.FC1(F)CCN(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C12H12F5N.CH4O/c13-11(14)4-5-18(8-11)7-9-2-1-3-10(6-9)12(15,16)17;1-2/h1-3,6H,4-5,7-8H2;2H,1H3
InChIKeyFHZKGCZRUDNBIJ-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol?
The IUPAC name of 3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol (CID 144502004) is 3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol.
What is the SMILES notation for 3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol?
The canonical SMILES for 3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol is CO.FC1(F)CCN(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol?
The InChIKey is FHZKGCZRUDNBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F5N.CH4O/c13-11(14)4-5-18(8-11)7-9-2-1-3-10(6-9)12(15,16)17;1-2/h1-3,6H,4-5,7-8H2;2H,1H3.
What are the key properties of 3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol?
3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol has a molecular weight of 297.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine;methanol is sourced from PubChem (CID 144502004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).