(3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine

C18H20F3N — CID 162354734

IUPAC(3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC[C@H](c1cccc2ccccc12)N1CC[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C18H20F3N/c1-13(22-10-9-14(12-22)11-18(19,20)21)16-8-4-6-15-5-2-3-7-17(15)16/h2-8,13-14H,9-12H2,1H3/t13-,14+/m1/s1
InChIKeyRRHXQCOMTCVUFB-KGLIPLIRSA-N
MW307.36 g/mol
LogP5.18
Rot. Bonds3

About (3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine

(3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 162354734) has the molecular formula C18H20F3N and a molecular weight of 307.36 g/mol. Its IUPAC name is (3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID162354734
Molecular FormulaC18H20F3N
Molecular Weight307.36 g/mol
Exact Mass307.15
IUPAC Name(3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC[C@H](c1cccc2ccccc12)N1CC[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C18H20F3N/c1-13(22-10-9-14(12-22)11-18(19,20)21)16-8-4-6-15-5-2-3-7-17(15)16/h2-8,13-14H,9-12H2,1H3/t13-,14+/m1/s1
InChIKeyRRHXQCOMTCVUFB-KGLIPLIRSA-N
XLogP5.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.36
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-naphthalen-1-ylethyl)azetidin-3-ol
CID 23381710
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
CID 65069244
N-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 176652835
6-(1-naphthalen-1-ylethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678358
2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
CID 95582678
N-[(4-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 155891033
1-[(1R)-1-naphthalen-1-ylethyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 90670154
1-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 162354731
1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride
CID 54604951
1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene
CID 175278434
N-[(3-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 76853653

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of (3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine (CID 162354734) is (3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for (3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for (3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine is C[C@H](c1cccc2ccccc12)N1CC[C@@H](CC(F)(F)F)C1.
What is the InChIKey of (3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is RRHXQCOMTCVUFB-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H20F3N/c1-13(22-10-9-14(12-22)11-18(19,20)21)16-8-4-6-15-5-2-3-7-17(15)16/h2-8,13-14H,9-12H2,1H3/t13-,14+/m1/s1.
What are the key properties of (3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine?
(3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 307.36 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1R)-1-naphthalen-1-ylethyl]-3-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 162354734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).