[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol

C14H18F3NOS — CID 62015724

IUPAC[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)11-3-1-5-13(9-11)20-8-7-18-6-2-4-12(18)10-19/h1,3,5,9,12,19H,2,4,6-8,10H2
InChIKeyFGICTVFPPXUZPK-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.25
Rot. Bonds5

About [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol

[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol (PubChem CID 62015724) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol
PubChem CID62015724
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CCSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)11-3-1-5-13(9-11)20-8-7-18-6-2-4-12(18)10-19/h1,3,5,9,12,19H,2,4,6-8,10H2
InChIKeyFGICTVFPPXUZPK-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[[4-(difluoromethylsulfonyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 71869039
1-[2-[3-(Trifluoromethyl)phenyl]sulfanylethyl]pyrrolidine-2-carboxylic acid
CID 43442034
1-[2-[3-(Trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-ol
CID 60669610
[1-[2-[3-(Trifluoromethyl)phenyl]sulfanylethyl]piperidin-3-yl]methanol
CID 60669833
2-[Methyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
CID 60683649
[1-[2-[3-(Trifluoromethyl)phenyl]sulfanylethyl]piperidin-2-yl]methanol
CID 60684797
2-[Ethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
CID 60685941
2-[2-Hydroxyethyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
CID 60686832
2-[Butyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
CID 60689237
2-[Propyl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
CID 60692105
2-[Propan-2-yl-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]amino]ethanol
CID 60692106
2-[(4-Fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61408857

Frequently Asked Questions

What is the IUPAC name of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol (CID 62015724) is [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CCSc1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol?
The InChIKey is FGICTVFPPXUZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c15-14(16,17)11-3-1-5-13(9-11)20-8-7-18-6-2-4-12(18)10-19/h1,3,5,9,12,19H,2,4,6-8,10H2.
What are the key properties of [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol?
[1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol has a molecular weight of 305.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62015724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).