(1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol

C9H12F3NO — CID 100847822

IUPAC(1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol
SMILESC#CCN1CCC[C@@H]1[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-2-5-13-6-3-4-7(13)8(14)9(10,11)12/h1,7-8,14H,3-6H2/t7-,8-/m1/s1
InChIKeyIHJCHYBXJLDGGH-HTQZYQBOSA-N
MW207.19 g/mol
LogP1.01
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol

(1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol (PubChem CID 100847822) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol
PubChem CID100847822
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name(1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol
SMILESC#CCN1CCC[C@@H]1[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c1-2-5-13-6-3-4-7(13)8(14)9(10,11)12/h1,7-8,14H,3-6H2/t7-,8-/m1/s1
InChIKeyIHJCHYBXJLDGGH-HTQZYQBOSA-N
XLogP1.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol (CID 100847822) is (1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol is C#CCN1CCC[C@@H]1[C@@H](O)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol?
The InChIKey is IHJCHYBXJLDGGH-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-2-5-13-6-3-4-7(13)8(14)9(10,11)12/h1,7-8,14H,3-6H2/t7-,8-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol?
(1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol has a molecular weight of 207.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-[(2R)-1-prop-2-ynylpyrrolidin-2-yl]ethanol is sourced from PubChem (CID 100847822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).