(2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine

C18H26FN — CID 158186536

IUPAC(2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine
SMILESCC1(F)C[C@@H](c2ccccc2C2CC2)N(C(C)(C)C)C1
InChIInChI=1S/C18H26FN/c1-17(2,3)20-12-18(4,19)11-16(20)15-8-6-5-7-14(15)13-9-10-13/h5-8,13,16H,9-12H2,1-4H3/t16-,18?/m0/s1
InChIKeyDBPDXAUWNBLQFI-ATNAJCNCSA-N
MW275.41 g/mol
LogP4.84
Rot. Bonds2

About (2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine

(2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine (PubChem CID 158186536) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is (2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine
PubChem CID158186536
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name(2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine
SMILESCC1(F)C[C@@H](c2ccccc2C2CC2)N(C(C)(C)C)C1
InChIInChI=1S/C18H26FN/c1-17(2,3)20-12-18(4,19)11-16(20)15-8-6-5-7-14(15)13-9-10-13/h5-8,13,16H,9-12H2,1-4H3/t16-,18?/m0/s1
InChIKeyDBPDXAUWNBLQFI-ATNAJCNCSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine?
The IUPAC name of (2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine (CID 158186536) is (2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine.
What is the SMILES notation for (2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine?
The canonical SMILES for (2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine is CC1(F)C[C@@H](c2ccccc2C2CC2)N(C(C)(C)C)C1.
What is the InChIKey of (2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine?
The InChIKey is DBPDXAUWNBLQFI-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H26FN/c1-17(2,3)20-12-18(4,19)11-16(20)15-8-6-5-7-14(15)13-9-10-13/h5-8,13,16H,9-12H2,1-4H3/t16-,18?/m0/s1.
What are the key properties of (2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine?
(2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine has a molecular weight of 275.41 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butyl-2-(2-cyclopropylphenyl)-4-fluoro-4-methylpyrrolidine is sourced from PubChem (CID 158186536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).