(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine

C10H18F3N — CID 58279613

IUPAC(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)C[C@H]1CCCN1CC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-8(2)6-9-4-3-5-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyKKEIBVXEMJVMLW-SECBINFHSA-N
MW209.25 g/mol
LogP3.06
Rot. Bonds3

About (2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine

(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 58279613) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is (2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID58279613
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)C[C@H]1CCCN1CC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-8(2)6-9-4-3-5-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyKKEIBVXEMJVMLW-SECBINFHSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of (2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 58279613) is (2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for (2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine is CC(C)C[C@H]1CCCN1CC(F)(F)F.
What is the InChIKey of (2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is KKEIBVXEMJVMLW-SECBINFHSA-N. The full InChI is InChI=1S/C10H18F3N/c1-8(2)6-9-4-3-5-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 209.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 58279613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).