[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone

C17H20F3NO2 — CID 71908054

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(C(F)(F)F)cc1)N1CCC(CCO)C1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)13-3-1-12(2-4-13)14-9-15(14)16(23)21-7-5-11(10-21)6-8-22/h1-4,11,14-15,22H,5-10H2
InChIKeyNDOPOOUJYQILPI-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.04
Rot. Bonds4

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 71908054) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID71908054
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESO=C(C1CC1c1ccc(C(F)(F)F)cc1)N1CCC(CCO)C1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)13-3-1-12(2-4-13)14-9-15(14)16(23)21-7-5-11(10-21)6-8-22/h1-4,11,14-15,22H,5-10H2
InChIKeyNDOPOOUJYQILPI-UHFFFAOYSA-N
XLogP3.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 71908054) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone is O=C(C1CC1c1ccc(C(F)(F)F)cc1)N1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is NDOPOOUJYQILPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c18-17(19,20)13-3-1-12(2-4-13)14-9-15(14)16(23)21-7-5-11(10-21)6-8-22/h1-4,11,14-15,22H,5-10H2.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 327.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 71908054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).