1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol

C6H10F3NO — CID 59504971

IUPAC1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c1-10-3-2-5(11,4-10)6(7,8)9/h11H,2-4H2,1H3
InChIKeyDWXYMNWUJUTGNY-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.62
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol

1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 59504971) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID59504971
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO/c1-10-3-2-5(11,4-10)6(7,8)9/h11H,2-4H2,1H3
InChIKeyDWXYMNWUJUTGNY-UHFFFAOYSA-N
XLogP0.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 59504971) is 1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol is CN1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is DWXYMNWUJUTGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10-3-2-5(11,4-10)6(7,8)9/h11H,2-4H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 169.15 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 59504971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).