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

C6H10F3NO — CID 94910943

IUPAC(3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCN1CC[C@](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/t5-/m1/s1
InChIKeyDWXYMNWUJUTGNY-RXMQYKEDSA-N
MW169.15 g/mol
LogP0.62
Rot. Bonds

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

(3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 94910943) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID94910943
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCN1CC[C@](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/t5-/m1/s1
InChIKeyDWXYMNWUJUTGNY-RXMQYKEDSA-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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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 59504971
1-Propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 61978000
1-Cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 62976986
3-(Difluoromethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 80605832
2,2,2-Trifluoro-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 88944829
3-Methyl-1-(2,2,2-trifluoro-1-iodoethyl)pyrrolidin-3-ol
CID 89182269
(3S)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910944
3-Methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706292
3-Methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-ol
CID 117709648
1-[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 122533808
1-Ethyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124199965
1-(1-Sulfanylethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 126759750

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 94910943) is (3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol is CN1CC[C@](O)(C(F)(F)F)C1.
What is the InChIKey of (3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is DWXYMNWUJUTGNY-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10-3-2-5(11,4-10)6(7,8)9/h11H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
(3R)-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 (3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 94910943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).