1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol

C20H22F3NO2 — CID 21396090

IUPAC1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
SMILESOC(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)CN1CCCC1
InChIInChI=1S/C20H22F3NO2/c21-20(22,23)17-7-3-15(4-8-17)16-5-9-19(10-6-16)26-14-18(25)13-24-11-1-2-12-24/h3-10,18,25H,1-2,11-14H2
InChIKeyNZAXJDYPXOBMHV-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.21
Rot. Bonds6

About 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol

1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol (PubChem CID 21396090) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
PubChem CID21396090
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
SMILESOC(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)CN1CCCC1
InChIInChI=1S/C20H22F3NO2/c21-20(22,23)17-7-3-15(4-8-17)16-5-9-19(10-6-16)26-14-18(25)13-24-11-1-2-12-24/h3-10,18,25H,1-2,11-14H2
InChIKeyNZAXJDYPXOBMHV-UHFFFAOYSA-N
XLogP4.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol (CID 21396090) is 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol is OC(COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
The InChIKey is NZAXJDYPXOBMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c21-20(22,23)17-7-3-15(4-8-17)16-5-9-19(10-6-16)26-14-18(25)13-24-11-1-2-12-24/h3-10,18,25H,1-2,11-14H2.
What are the key properties of 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol has a molecular weight of 365.40 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 21396090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).