1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol

C18H18F3NO2 — CID 13320253

IUPAC1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
SMILESOC1CN(Cc2ccccc2)CC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)14-7-4-8-15(9-14)24-17-12-22(11-16(17)23)10-13-5-2-1-3-6-13/h1-9,16-17,23H,10-12H2
InChIKeyAHWUNRIRDXQYFE-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.33
Rot. Bonds4

About 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol

1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol (PubChem CID 13320253) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
PubChem CID13320253
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
SMILESOC1CN(Cc2ccccc2)CC1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)14-7-4-8-15(9-14)24-17-12-22(11-16(17)23)10-13-5-2-1-3-6-13/h1-9,16-17,23H,10-12H2
InChIKeyAHWUNRIRDXQYFE-UHFFFAOYSA-N
XLogP3.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol;oxalic acid
CID 70454092
(3R,4R)-1-benzyl-4-(4-methoxyphenoxy)pyrrolidin-3-ol
CID 13320244
1-[[3-(trifluoromethyl)phenyl]methyl]azetidine-3-thiol
CID 86226767
4-phenoxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine;hydrochloride
CID 117068516
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3R,5S)-1-benzyl-N,N-dimethyl-5-[[3-(trifluoromethyl)phenoxy]methyl]piperidine-3-carboxamide
CID 56859409
1-benzyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110535914
(1-benzyl-4-hydroxypyrrolidin-3-yl) acetate
CID 139629969
4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol
CID 13320255
2-[4-[(3R,4R)-4-hydroxy-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrrolidin-3-yl]oxyphenyl]acetic acid
CID 155988676
(3R,4R)-4-(3-fluorophenoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 175654918

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol (CID 13320253) is 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol is OC1CN(Cc2ccccc2)CC1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol?
The InChIKey is AHWUNRIRDXQYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-18(20,21)14-7-4-8-15(9-14)24-17-12-22(11-16(17)23)10-13-5-2-1-3-6-13/h1-9,16-17,23H,10-12H2.
What are the key properties of 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol?
1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol has a molecular weight of 337.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-ol is sourced from PubChem (CID 13320253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).