1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine

C18H17F4N — CID 174973052

IUPAC1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1CC(c2ccc(C(F)(F)F)cc2)CN1c1ccccc1F
InChIInChI=1S/C18H17F4N/c1-12-10-14(11-23(12)17-5-3-2-4-16(17)19)13-6-8-15(9-7-13)18(20,21)22/h2-9,12,14H,10-11H2,1H3
InChIKeyARXYDGWORYYGGR-UHFFFAOYSA-N
MW323.33 g/mol
LogP5.23
Rot. Bonds2

About 1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine

1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 174973052) has the molecular formula C18H17F4N and a molecular weight of 323.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID174973052
Molecular FormulaC18H17F4N
Molecular Weight323.33 g/mol
Exact Mass323.13
IUPAC Name1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC1CC(c2ccc(C(F)(F)F)cc2)CN1c1ccccc1F
InChIInChI=1S/C18H17F4N/c1-12-10-14(11-23(12)17-5-3-2-4-16(17)19)13-6-8-15(9-7-13)18(20,21)22/h2-9,12,14H,10-11H2,1H3
InChIKeyARXYDGWORYYGGR-UHFFFAOYSA-N
XLogP5.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.33
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine (CID 174973052) is 1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine is CC1CC(c2ccc(C(F)(F)F)cc2)CN1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is ARXYDGWORYYGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N/c1-12-10-14(11-23(12)17-5-3-2-4-16(17)19)13-6-8-15(9-7-13)18(20,21)22/h2-9,12,14H,10-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine?
1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 323.33 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 174973052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).