1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C15H18F3NO — CID 102751225

IUPAC1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CCN(C2CC2)C1
InChIInChI=1S/C15H18F3NO/c1-10-8-11(15(16,17)18)2-5-13(10)14(20)6-7-19(9-14)12-3-4-12/h2,5,8,12,20H,3-4,6-7,9H2,1H3
InChIKeyUMYIVADXRARXGZ-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.07
Rot. Bonds2

About 1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol

1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 102751225) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID102751225
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESCc1cc(C(F)(F)F)ccc1C1(O)CCN(C2CC2)C1
InChIInChI=1S/C15H18F3NO/c1-10-8-11(15(16,17)18)2-5-13(10)14(20)6-7-19(9-14)12-3-4-12/h2,5,8,12,20H,3-4,6-7,9H2,1H3
InChIKeyUMYIVADXRARXGZ-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 102751225) is 1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol is Cc1cc(C(F)(F)F)ccc1C1(O)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is UMYIVADXRARXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-10-8-11(15(16,17)18)2-5-13(10)14(20)6-7-19(9-14)12-3-4-12/h2,5,8,12,20H,3-4,6-7,9H2,1H3.
What are the key properties of 1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 285.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 102751225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).