4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol

C16H13F4NO — CID 118024643

IUPAC4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol
SMILESCC1(O)CCc2cncc(-c3ccc(C(F)(F)F)cc3F)c21
InChIInChI=1S/C16H13F4NO/c1-15(22)5-4-9-7-21-8-12(14(9)15)11-3-2-10(6-13(11)17)16(18,19)20/h2-3,6-8,22H,4-5H2,1H3
InChIKeyHXUAAUPPFPJIJG-UHFFFAOYSA-N
MW311.28 g/mol
LogP4.06
Rot. Bonds1

About 4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol

4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol (PubChem CID 118024643) has the molecular formula C16H13F4NO and a molecular weight of 311.28 g/mol. Its IUPAC name is 4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol.

Molecular Properties

Compound Name4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol
PubChem CID118024643
Molecular FormulaC16H13F4NO
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol
SMILESCC1(O)CCc2cncc(-c3ccc(C(F)(F)F)cc3F)c21
InChIInChI=1S/C16H13F4NO/c1-15(22)5-4-9-7-21-8-12(14(9)15)11-3-2-10(6-13(11)17)16(18,19)20/h2-3,6-8,22H,4-5H2,1H3
InChIKeyHXUAAUPPFPJIJG-UHFFFAOYSA-N
XLogP4.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-N,N-dimethylacetamide
CID 118024387
2-[(8S)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]-N,N-dimethylacetamide
CID 118024215
1-(2,4-difluorophenyl)sulfonyl-5-[2-fluoro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,7-naphthyridine
CID 166001923
2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
CID 123582186
1-[8-[2-fluoro-4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazin-2-yl]pyrrolidin-3-ol
CID 144843563
2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 170925615
2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene
CID 135178558
N-cyclopropyl-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
CID 118024378
1-methyl-5-(trifluoromethyl)-2,3-dihydroindene-1-carboxylic acid
CID 115045193
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339846
N-(cyclopropylmethyl)-2-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-8-yl]acetamide
CID 118024320

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol?
The IUPAC name of 4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol (CID 118024643) is 4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol.
What is the SMILES notation for 4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol?
The canonical SMILES for 4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol is CC1(O)CCc2cncc(-c3ccc(C(F)(F)F)cc3F)c21.
What is the InChIKey of 4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol?
The InChIKey is HXUAAUPPFPJIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4NO/c1-15(22)5-4-9-7-21-8-12(14(9)15)11-3-2-10(6-13(11)17)16(18,19)20/h2-3,6-8,22H,4-5H2,1H3.
What are the key properties of 4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol?
4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol has a molecular weight of 311.28 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-6,7-dihydrocyclopenta[c]pyridin-5-ol is sourced from PubChem (CID 118024643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).