1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

C20H15F5N2O — CID 133495111

IUPAC1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CC(c2cccc(C(F)(F)F)c2)N(c2ccnc3c(F)cc(F)cc23)C1
InChIInChI=1S/C20H15F5N2O/c21-13-7-15-17(4-5-26-19(15)16(22)8-13)27-10-14(28)9-18(27)11-2-1-3-12(6-11)20(23,24)25/h1-8,14,18,28H,9-10H2
InChIKeyLRXMJZGXBKNCRF-UHFFFAOYSA-N
MW394.34 g/mol
LogP4.84
Rot. Bonds2

About 1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol

1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (PubChem CID 133495111) has the molecular formula C20H15F5N2O and a molecular weight of 394.34 g/mol. Its IUPAC name is 1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
PubChem CID133495111
Molecular FormulaC20H15F5N2O
Molecular Weight394.34 g/mol
Exact Mass394.11
IUPAC Name1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
SMILESOC1CC(c2cccc(C(F)(F)F)c2)N(c2ccnc3c(F)cc(F)cc23)C1
InChIInChI=1S/C20H15F5N2O/c21-13-7-15-17(4-5-26-19(15)16(22)8-13)27-10-14(28)9-18(27)11-2-1-3-12(6-11)20(23,24)25/h1-8,14,18,28H,9-10H2
InChIKeyLRXMJZGXBKNCRF-UHFFFAOYSA-N
XLogP4.84
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.34
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129381162
6-[(2R,4S)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 99621967
1-methylsulfonyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 128963640
(3R,5R)-1-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 125135716
(3S,5R)-1-(7H-purin-6-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129381170
(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 129482038
2-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 136800344
(3S,5R)-1-[(4-aminopyrimidin-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129393583
(3R,5R)-5-(3,4-difluorophenyl)-1-(1-methylpyrazolo[3,4-b]pyridin-4-yl)pyrrolidin-3-ol
CID 129350777
[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100659421
[4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
CID 167881388
[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 100659503

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol (CID 133495111) is 1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is OC1CC(c2cccc(C(F)(F)F)c2)N(c2ccnc3c(F)cc(F)cc23)C1.
What is the InChIKey of 1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
The InChIKey is LRXMJZGXBKNCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F5N2O/c21-13-7-15-17(4-5-26-19(15)16(22)8-13)27-10-14(28)9-18(27)11-2-1-3-12(6-11)20(23,24)25/h1-8,14,18,28H,9-10H2.
What are the key properties of 1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol?
1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol has a molecular weight of 394.34 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-difluoroquinolin-4-yl)-5-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 133495111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).