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

C7H12F3NO — CID 103728576

IUPAC3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
SMILESCC1(O)CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-6(12)2-3-11(4-6)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyBBNARCKYSJHFTI-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.01
Rot. Bonds1

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

3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (PubChem CID 103728576) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
PubChem CID103728576
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
SMILESCC1(O)CCN(CC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c1-6(12)2-3-11(4-6)5-7(8,9)10/h12H,2-5H2,1H3
InChIKeyBBNARCKYSJHFTI-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (CID 103728576) is 3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol is CC1(O)CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
The InChIKey is BBNARCKYSJHFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(12)2-3-11(4-6)5-7(8,9)10/h12H,2-5H2,1H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol?
3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol has a molecular weight of 183.17 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol is sourced from PubChem (CID 103728576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).