1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C11H11ClF3NO — CID 67022030

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C11H11ClF3NO/c12-10-2-1-7(5-9(10)11(13,14)15)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2
InChIKeyKFALVLYZOUSTMI-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.93
Rot. Bonds1

About 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 67022030) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID67022030
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C11H11ClF3NO/c12-10-2-1-7(5-9(10)11(13,14)15)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2
InChIKeyKFALVLYZOUSTMI-UHFFFAOYSA-N
XLogP2.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 67022030) is 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is OC1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is KFALVLYZOUSTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c12-10-2-1-7(5-9(10)11(13,14)15)16-4-3-8(17)6-16/h1-2,5,8,17H,3-4,6H2.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 265.66 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 67022030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).