1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol

C19H15F4NO2 — CID 70968073

IUPAC1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)C(F)(F)c1c(F)cccc1Oc1cnc2c(F)cccc2c1
InChIInChI=1S/C19H15F4NO2/c1-18(2,25)19(22,23)16-13(20)6-4-8-15(16)26-12-9-11-5-3-7-14(21)17(11)24-10-12/h3-10,25H,1-2H3
InChIKeyUGPHGJFTTMPEEW-UHFFFAOYSA-N
MW365.33 g/mol
LogP5.17
Rot. Bonds4

About 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol

1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol (PubChem CID 70968073) has the molecular formula C19H15F4NO2 and a molecular weight of 365.33 g/mol. Its IUPAC name is 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol
PubChem CID70968073
Molecular FormulaC19H15F4NO2
Molecular Weight365.33 g/mol
Exact Mass365.10
IUPAC Name1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)C(F)(F)c1c(F)cccc1Oc1cnc2c(F)cccc2c1
InChIInChI=1S/C19H15F4NO2/c1-18(2,25)19(22,23)16-13(20)6-4-8-15(16)26-12-9-11-5-3-7-14(21)17(11)24-10-12/h3-10,25H,1-2H3
InChIKeyUGPHGJFTTMPEEW-UHFFFAOYSA-N
XLogP5.17
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.33
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluoro-6-thieno[2,3-b]pyridin-5-yloxyphenyl)propan-2-ol
CID 155820209
1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-hydroxypropan-1-one
CID 123839241
3-[3-(8-fluoroquinolin-3-yl)oxy-2-pyridinyl]-3-methylbutan-2-ol;2-[3-(8-fluoroquinolin-3-yl)oxy-2-pyridinyl]-2-methylpropanal
CID 161283155
8-fluoro-3-(3-fluoro-2-propan-2-ylsulfinylphenoxy)quinoline
CID 159588412
[2-(8-fluoroquinolin-3-yl)oxyphenyl]methyl-dimethyl-thiophen-2-ylsilane
CID 142465668
1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
CID 107387266
1-(8-fluoroquinolin-3-yl)ethanone
CID 75355413
(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 142432657
8-fluoroquinoline-3-carboxylic acid;hydrate
CID 90668422
(8-fluoroquinolin-3-yl)boronic acid
CID 67114195
2-(cyclobutyloxymethyl)-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 138478424
3,8-diethoxyquinoline
CID 45094466

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol?
The IUPAC name of 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol (CID 70968073) is 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol is CC(C)(O)C(F)(F)c1c(F)cccc1Oc1cnc2c(F)cccc2c1.
What is the InChIKey of 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol?
The InChIKey is UGPHGJFTTMPEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4NO2/c1-18(2,25)19(22,23)16-13(20)6-4-8-15(16)26-12-9-11-5-3-7-14(21)17(11)24-10-12/h3-10,25H,1-2H3.
What are the key properties of 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol?
1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol has a molecular weight of 365.33 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-[2-fluoro-6-(8-fluoroquinolin-3-yl)oxyphenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 70968073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).