(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol

C6H10F3NO — CID 59273044

IUPAC(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESC[C@@H]1NCC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-4-5(11,2-3-10-4)6(7,8)9/h4,10-11H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyOZXZWBCBBNRIAV-WHFBIAKZSA-N
MW169.15 g/mol
LogP0.66
Rot. Bonds

About (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol

(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 59273044) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID59273044
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESC[C@@H]1NCC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-4-5(11,2-3-10-4)6(7,8)9/h4,10-11H,2-3H2,1H3/t4-,5-/m0/s1
InChIKeyOZXZWBCBBNRIAV-WHFBIAKZSA-N
XLogP0.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 59273044) is (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol is C[C@@H]1NCC[C@@]1(O)C(F)(F)F.
What is the InChIKey of (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is OZXZWBCBBNRIAV-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-4-5(11,2-3-10-4)6(7,8)9/h4,10-11H,2-3H2,1H3/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
(2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 169.15 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 59273044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).