1-propan-2-yl-2-(trifluoromethyl)pyrrolidine

C8H14F3N — CID 58110267

IUPAC1-propan-2-yl-2-(trifluoromethyl)pyrrolidine
SMILESCC(C)N1CCCC1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6(2)12-5-3-4-7(12)8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyPCGCYNUTBXUJPQ-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.42
Rot. Bonds1

About 1-propan-2-yl-2-(trifluoromethyl)pyrrolidine

1-propan-2-yl-2-(trifluoromethyl)pyrrolidine (PubChem CID 58110267) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1-propan-2-yl-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-propan-2-yl-2-(trifluoromethyl)pyrrolidine
PubChem CID58110267
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1-propan-2-yl-2-(trifluoromethyl)pyrrolidine
SMILESCC(C)N1CCCC1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6(2)12-5-3-4-7(12)8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyPCGCYNUTBXUJPQ-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-propan-2-yl-2-(trifluoromethyl)pyrrolidine (CID 58110267) is 1-propan-2-yl-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-propan-2-yl-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-propan-2-yl-2-(trifluoromethyl)pyrrolidine is CC(C)N1CCCC1C(F)(F)F.
What is the InChIKey of 1-propan-2-yl-2-(trifluoromethyl)pyrrolidine?
The InChIKey is PCGCYNUTBXUJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(2)12-5-3-4-7(12)8(9,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-2-(trifluoromethyl)pyrrolidine?
1-propan-2-yl-2-(trifluoromethyl)pyrrolidine has a molecular weight of 181.20 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 58110267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).