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

C20H22F3NO2 — CID 21396081

IUPAC1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
SMILESOC(COc1ccc(-c2cccc(C(F)(F)F)c2)cc1)CN1CCCC1
InChIInChI=1S/C20H22F3NO2/c21-20(22,23)17-5-3-4-16(12-17)15-6-8-19(9-7-15)26-14-18(25)13-24-10-1-2-11-24/h3-9,12,18,25H,1-2,10-11,13-14H2
InChIKeyPTPVWSCMYZIZMW-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.21
Rot. Bonds6

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

1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol (PubChem CID 21396081) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
PubChem CID21396081
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
SMILESOC(COc1ccc(-c2cccc(C(F)(F)F)c2)cc1)CN1CCCC1
InChIInChI=1S/C20H22F3NO2/c21-20(22,23)17-5-3-4-16(12-17)15-6-8-19(9-7-15)26-14-18(25)13-24-10-1-2-11-24/h3-9,12,18,25H,1-2,10-11,13-14H2
InChIKeyPTPVWSCMYZIZMW-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

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Related Compounds

1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
1-(4-methoxyphenoxy)-3-[4-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]propan-2-ol
CID 22064257
1-[4-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]piperazin-1-yl]ethanone
CID 110906728
(2R)-1-(azepan-1-yl)-3-(4-tert-butylphenoxy)propan-2-ol
CID 2306304
1-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 118131567
1-pyrrolidin-1-yl-3-(4-thiophen-3-ylphenoxy)propan-2-ol
CID 10380266
1-[4-(aminomethyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 43253320
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 66549919
(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 71570780

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol (CID 21396081) is 1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol is OC(COc1ccc(-c2cccc(C(F)(F)F)c2)cc1)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
The InChIKey is PTPVWSCMYZIZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c21-20(22,23)17-5-3-4-16(12-17)15-6-8-19(9-7-15)26-14-18(25)13-24-10-1-2-11-24/h3-9,12,18,25H,1-2,10-11,13-14H2.
What are the key properties of 1-pyrrolidin-1-yl-3-[4-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol?
1-pyrrolidin-1-yl-3-[4-[3-(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-[3-(trifluoromethyl)phenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 21396081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).