1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol

C7H12F3NO — CID 155160475

IUPAC1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
SMILESCN1CC(O)C(CC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-11-3-5(6(12)4-11)2-7(8,9)10/h5-6,12H,2-4H2,1H3
InChIKeyXDCQHOFWCNHRCJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.86
Rot. Bonds1

About 1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol

1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (PubChem CID 155160475) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
PubChem CID155160475
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
SMILESCN1CC(O)C(CC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-11-3-5(6(12)4-11)2-7(8,9)10/h5-6,12H,2-4H2,1H3
InChIKeyXDCQHOFWCNHRCJ-UHFFFAOYSA-N
XLogP0.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (CID 155160475) is 1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol is CN1CC(O)C(CC(F)(F)F)C1.
What is the InChIKey of 1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The InChIKey is XDCQHOFWCNHRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-3-5(6(12)4-11)2-7(8,9)10/h5-6,12H,2-4H2,1H3.
What are the key properties of 1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol has a molecular weight of 183.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,2-trifluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 155160475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).