(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol

C16H14F6N2O — CID 59084682

IUPAC(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol
SMILESO[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCN1
InChIInChI=1S/C16H14F6N2O/c17-15(18,19)10-4-1-3-8-9(14(25)11-5-2-6-23-11)7-12(16(20,21)22)24-13(8)10/h1,3-4,7,11,14,23,25H,2,5-6H2/t11-,14-/m0/s1
InChIKeyKQMDVPHXKCGASU-FZMZJTMJSA-N
MW364.29 g/mol
LogP4.06
Rot. Bonds2

About (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol

(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 59084682) has the molecular formula C16H14F6N2O and a molecular weight of 364.29 g/mol. Its IUPAC name is (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol
PubChem CID59084682
Molecular FormulaC16H14F6N2O
Molecular Weight364.29 g/mol
Exact Mass364.10
IUPAC Name(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol
SMILESO[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCN1
InChIInChI=1S/C16H14F6N2O/c17-15(18,19)10-4-1-3-8-9(14(25)11-5-2-6-23-11)7-12(16(20,21)22)24-13(8)10/h1,3-4,7,11,14,23,25H,2,5-6H2/t11-,14-/m0/s1
InChIKeyKQMDVPHXKCGASU-FZMZJTMJSA-N
XLogP4.06
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrazine
CID 87721844
[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
CID 59451320
(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol;[2,8-bis(trifluoromethyl)quinolin-4-yl]-pyridin-2-ylmethanone;methane;molecular hydrogen;hydrochloride
CID 161281228
[6-methoxy-2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
CID 10047013
piperidin-2-yl-[8-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]quinolin-4-yl]methanol
CID 10321725
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-1-ium-2-yl]methanol
CID 24848226
[(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methyl] N-tert-butylcarbamate
CID 102017544
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(1R,2E)-2-hydroxyiminocyclopentyl]methanol
CID 44519169
methanol;(S)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;(R)-[7-(pentafluoro-λ6-sulfanyl)-2-(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol
CID 139190202
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyrrolidin-1-ylethanol
CID 23004032
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[2-(cyclopropylamino)ethylamino]methanol
CID 71592319

Frequently Asked Questions

What is the IUPAC name of (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol (CID 59084682) is (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol is O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCN1.
What is the InChIKey of (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is KQMDVPHXKCGASU-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H14F6N2O/c17-15(18,19)10-4-1-3-8-9(14(25)11-5-2-6-23-11)7-12(16(20,21)22)24-13(8)10/h1,3-4,7,11,14,23,25H,2,5-6H2/t11-,14-/m0/s1.
What are the key properties of (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol?
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 364.29 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 59084682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).