(1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol

C12H15F3N2O — CID 114271915

IUPAC(1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCC(C(F)(F)F)C2)nc1
InChIInChI=1S/C12H15F3N2O/c1-8(18)9-2-3-11(16-6-9)17-5-4-10(7-17)12(13,14)15/h2-3,6,8,10,18H,4-5,7H2,1H3/t8-,10?/m0/s1
InChIKeyRHZKWMCYAPRIGC-PEHGTWAWSA-N
MW260.26 g/mol
LogP2.52
Rot. Bonds2

About (1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol

(1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol (PubChem CID 114271915) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is (1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol
PubChem CID114271915
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name(1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCC(C(F)(F)F)C2)nc1
InChIInChI=1S/C12H15F3N2O/c1-8(18)9-2-3-11(16-6-9)17-5-4-10(7-17)12(13,14)15/h2-3,6,8,10,18H,4-5,7H2,1H3/t8-,10?/m0/s1
InChIKeyRHZKWMCYAPRIGC-PEHGTWAWSA-N
XLogP2.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol (CID 114271915) is (1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol is C[C@H](O)c1ccc(N2CCC(C(F)(F)F)C2)nc1.
What is the InChIKey of (1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol?
The InChIKey is RHZKWMCYAPRIGC-PEHGTWAWSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8(18)9-2-3-11(16-6-9)17-5-4-10(7-17)12(13,14)15/h2-3,6,8,10,18H,4-5,7H2,1H3/t8-,10?/m0/s1.
What are the key properties of (1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol?
(1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol has a molecular weight of 260.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[6-[3-(trifluoromethyl)pyrrolidin-1-yl]-3-pyridinyl]ethanol is sourced from PubChem (CID 114271915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).