1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine

C14H18F3N — CID 118968940

IUPAC1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)c1cccc(N2CCC(C(F)(F)F)C2)c1
InChIInChI=1S/C14H18F3N/c1-10(2)11-4-3-5-13(8-11)18-7-6-12(9-18)14(15,16)17/h3-5,8,10,12H,6-7,9H2,1-2H3
InChIKeyQPYHXSVSVFFDAI-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.20
Rot. Bonds2

About 1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine

1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine (PubChem CID 118968940) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine
PubChem CID118968940
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine
SMILESCC(C)c1cccc(N2CCC(C(F)(F)F)C2)c1
InChIInChI=1S/C14H18F3N/c1-10(2)11-4-3-5-13(8-11)18-7-6-12(9-18)14(15,16)17/h3-5,8,10,12H,6-7,9H2,1-2H3
InChIKeyQPYHXSVSVFFDAI-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine (CID 118968940) is 1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine is CC(C)c1cccc(N2CCC(C(F)(F)F)C2)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine?
The InChIKey is QPYHXSVSVFFDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10(2)11-4-3-5-13(8-11)18-7-6-12(9-18)14(15,16)17/h3-5,8,10,12H,6-7,9H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine?
1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 118968940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).