(1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol

C9H16F3NO — CID 162751576

IUPAC(1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol
SMILESCC(C)N1CCC[C@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)13-5-3-4-7(13)8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyVLZRDRZNRSRZRJ-YUMQZZPRSA-N
MW211.23 g/mol
LogP1.78
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol

(1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol (PubChem CID 162751576) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol
PubChem CID162751576
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name(1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol
SMILESCC(C)N1CCC[C@H]1[C@H](O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)13-5-3-4-7(13)8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t7-,8-/m0/s1
InChIKeyVLZRDRZNRSRZRJ-YUMQZZPRSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol (CID 162751576) is (1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol is CC(C)N1CCC[C@H]1[C@H](O)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol?
The InChIKey is VLZRDRZNRSRZRJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)13-5-3-4-7(13)8(14)9(10,11)12/h6-8,14H,3-5H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol?
(1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol has a molecular weight of 211.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 162751576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).