(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine

C15H21F2N — CID 165032426

IUPAC(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccc(N2CC[C@@](C)(C(F)F)C2)cc1
InChIInChI=1S/C15H21F2N/c1-11(2)12-4-6-13(7-5-12)18-9-8-15(3,10-18)14(16)17/h4-7,11,14H,8-10H2,1-3H3/t15-/m1/s1
InChIKeyRDAQCWWLJIKYMK-OAHLLOKOSA-N
MW253.34 g/mol
LogP4.29
Rot. Bonds3

About (3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine

(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine (PubChem CID 165032426) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is (3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine
PubChem CID165032426
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccc(N2CC[C@@](C)(C(F)F)C2)cc1
InChIInChI=1S/C15H21F2N/c1-11(2)12-4-6-13(7-5-12)18-9-8-15(3,10-18)14(16)17/h4-7,11,14H,8-10H2,1-3H3/t15-/m1/s1
InChIKeyRDAQCWWLJIKYMK-OAHLLOKOSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of (3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine (CID 165032426) is (3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for (3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine is CC(C)c1ccc(N2CC[C@@](C)(C(F)F)C2)cc1.
What is the InChIKey of (3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine?
The InChIKey is RDAQCWWLJIKYMK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21F2N/c1-11(2)12-4-6-13(7-5-12)18-9-8-15(3,10-18)14(16)17/h4-7,11,14H,8-10H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine?
(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine has a molecular weight of 253.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 165032426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).