(3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine

C17H24F3N — CID 130286479

IUPAC(3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine
SMILESCc1ccc(CN2C[C@@H](C)[C@H](C(C)C)C2)c(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N/c1-11(2)15-10-21(8-13(15)4)9-14-6-5-12(3)7-16(14)17(18,19)20/h5-7,11,13,15H,8-10H2,1-4H3/t13-,15+/m1/s1
InChIKeyRFGCNMSWFJXDMW-HIFRSBDPSA-N
MW299.38 g/mol
LogP4.74
Rot. Bonds3

About (3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine

(3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine (PubChem CID 130286479) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is (3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine
PubChem CID130286479
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name(3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine
SMILESCc1ccc(CN2C[C@@H](C)[C@H](C(C)C)C2)c(C(F)(F)F)c1
InChIInChI=1S/C17H24F3N/c1-11(2)15-10-21(8-13(15)4)9-14-6-5-12(3)7-16(14)17(18,19)20/h5-7,11,13,15H,8-10H2,1-4H3/t13-,15+/m1/s1
InChIKeyRFGCNMSWFJXDMW-HIFRSBDPSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine?
The IUPAC name of (3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine (CID 130286479) is (3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine.
What is the SMILES notation for (3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine?
The canonical SMILES for (3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine is Cc1ccc(CN2C[C@@H](C)[C@H](C(C)C)C2)c(C(F)(F)F)c1.
What is the InChIKey of (3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine?
The InChIKey is RFGCNMSWFJXDMW-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H24F3N/c1-11(2)15-10-21(8-13(15)4)9-14-6-5-12(3)7-16(14)17(18,19)20/h5-7,11,13,15H,8-10H2,1-4H3/t13-,15+/m1/s1.
What are the key properties of (3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine?
(3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine has a molecular weight of 299.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-1-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 130286479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).