4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine

C19H14F9N — CID 87355868

IUPAC4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(C2(c3ccc(C(F)(F)F)cc3)CC(C(F)(F)F)CN2)cc1
InChIInChI=1S/C19H14F9N/c20-17(21,22)13-5-1-11(2-6-13)16(9-15(10-29-16)19(26,27)28)12-3-7-14(8-4-12)18(23,24)25/h1-8,15,29H,9-10H2
InChIKeyHNWVUJOECFKKPG-UHFFFAOYSA-N
MW427.31 g/mol
LogP6.14
Rot. Bonds2

About 4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine

4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 87355868) has the molecular formula C19H14F9N and a molecular weight of 427.31 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID87355868
Molecular FormulaC19H14F9N
Molecular Weight427.31 g/mol
Exact Mass427.10
IUPAC Name4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1ccc(C2(c3ccc(C(F)(F)F)cc3)CC(C(F)(F)F)CN2)cc1
InChIInChI=1S/C19H14F9N/c20-17(21,22)13-5-1-11(2-6-13)16(9-15(10-29-16)19(26,27)28)12-3-7-14(8-4-12)18(23,24)25/h1-8,15,29H,9-10H2
InChIKeyHNWVUJOECFKKPG-UHFFFAOYSA-N
XLogP6.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.31
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine (CID 87355868) is 4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1ccc(C2(c3ccc(C(F)(F)F)cc3)CC(C(F)(F)F)CN2)cc1.
What is the InChIKey of 4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is HNWVUJOECFKKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F9N/c20-17(21,22)13-5-1-11(2-6-13)16(9-15(10-29-16)19(26,27)28)12-3-7-14(8-4-12)18(23,24)25/h1-8,15,29H,9-10H2.
What are the key properties of 4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine?
4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 427.31 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,2-bis[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 87355868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).