(2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine

C11H20F3N — CID 90244680

IUPAC(2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine
SMILESCC(C)[C@@H]1CCC(C(F)(F)F)N1C(C)C
InChIInChI=1S/C11H20F3N/c1-7(2)9-5-6-10(11(12,13)14)15(9)8(3)4/h7-10H,5-6H2,1-4H3/t9-,10?/m0/s1
InChIKeyBDPCRWXBKMPZFW-RGURZIINSA-N
MW223.28 g/mol
LogP3.45
Rot. Bonds2

About (2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine

(2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine (PubChem CID 90244680) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is (2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine
PubChem CID90244680
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name(2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine
SMILESCC(C)[C@@H]1CCC(C(F)(F)F)N1C(C)C
InChIInChI=1S/C11H20F3N/c1-7(2)9-5-6-10(11(12,13)14)15(9)8(3)4/h7-10H,5-6H2,1-4H3/t9-,10?/m0/s1
InChIKeyBDPCRWXBKMPZFW-RGURZIINSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine?
The IUPAC name of (2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine (CID 90244680) is (2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for (2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine?
The canonical SMILES for (2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine is CC(C)[C@@H]1CCC(C(F)(F)F)N1C(C)C.
What is the InChIKey of (2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine?
The InChIKey is BDPCRWXBKMPZFW-RGURZIINSA-N. The full InChI is InChI=1S/C11H20F3N/c1-7(2)9-5-6-10(11(12,13)14)15(9)8(3)4/h7-10H,5-6H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of (2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine?
(2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine has a molecular weight of 223.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 90244680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).