1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol

C7H12F3NO — CID 81467930

IUPAC1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC1CC(O)(C(F)(F)F)CN1C
InChIInChI=1S/C7H12F3NO/c1-5-3-6(12,4-11(5)2)7(8,9)10/h5,12H,3-4H2,1-2H3
InChIKeyYGBGQCZBOAQDAJ-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.00
Rot. Bonds

About 1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol

1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 81467930) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID81467930
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC1CC(O)(C(F)(F)F)CN1C
InChIInChI=1S/C7H12F3NO/c1-5-3-6(12,4-11(5)2)7(8,9)10/h5,12H,3-4H2,1-2H3
InChIKeyYGBGQCZBOAQDAJ-UHFFFAOYSA-N
XLogP1.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 81467930) is 1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol is CC1CC(O)(C(F)(F)F)CN1C.
What is the InChIKey of 1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is YGBGQCZBOAQDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5-3-6(12,4-11(5)2)7(8,9)10/h5,12H,3-4H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol?
1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 183.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 81467930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).