(2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine

C10H18F3NO — CID 167225603

IUPAC(2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)OC[C@@H]1CCCN1CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2)15-6-9-4-3-5-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyNACZCPNNKNLSAR-VIFPVBQESA-N
MW225.25 g/mol
LogP2.44
Rot. Bonds4

About (2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine

(2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 167225603) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is (2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID167225603
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name(2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)OC[C@@H]1CCCN1CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-8(2)15-6-9-4-3-5-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyNACZCPNNKNLSAR-VIFPVBQESA-N
XLogP2.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of (2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 167225603) is (2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine is CC(C)OC[C@@H]1CCCN1CC(F)(F)F.
What is the InChIKey of (2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is NACZCPNNKNLSAR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8(2)15-6-9-4-3-5-14(9)7-10(11,12)13/h8-9H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine?
(2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 225.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 167225603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).