1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C11H11F4NO — CID 67022301

IUPAC1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C11H11F4NO/c12-8-3-7(11(13,14)15)4-9(5-8)16-2-1-10(17)6-16/h3-5,10,17H,1-2,6H2
InChIKeyROHWRUVBLTYJFT-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.42
Rot. Bonds1

About 1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol

1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 67022301) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID67022301
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2cc(F)cc(C(F)(F)F)c2)C1
InChIInChI=1S/C11H11F4NO/c12-8-3-7(11(13,14)15)4-9(5-8)16-2-1-10(17)6-16/h3-5,10,17H,1-2,6H2
InChIKeyROHWRUVBLTYJFT-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 67022301) is 1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol is OC1CCN(c2cc(F)cc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is ROHWRUVBLTYJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c12-8-3-7(11(13,14)15)4-9(5-8)16-2-1-10(17)6-16/h3-5,10,17H,1-2,6H2.
What are the key properties of 1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 249.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 67022301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).