9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol

C14H17F2NO — CID 141413234

IUPAC9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol
SMILESCC1(O)c2c(ccc3c2CCNCC3)CC1(F)F
InChIInChI=1S/C14H17F2NO/c1-13(18)12-10(8-14(13,15)16)3-2-9-4-6-17-7-5-11(9)12/h2-3,17-18H,4-8H2,1H3
InChIKeyISIZYEYCGPSXGL-UHFFFAOYSA-N
MW253.29 g/mol
LogP1.77
Rot. Bonds

About 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol

9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol (PubChem CID 141413234) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol.

Molecular Properties

Compound Name9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol
PubChem CID141413234
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol
SMILESCC1(O)c2c(ccc3c2CCNCC3)CC1(F)F
InChIInChI=1S/C14H17F2NO/c1-13(18)12-10(8-14(13,15)16)3-2-9-4-6-17-7-5-11(9)12/h2-3,17-18H,4-8H2,1H3
InChIKeyISIZYEYCGPSXGL-UHFFFAOYSA-N
XLogP1.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol with MolForge

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Related Compounds

9,9-difluoro-8-methyl-2,3,4,5,8,10-hexahydro-1H-cyclopenta[i][3]benzazepine
CID 90238692
3-(7-amino-2,3,4,5-tetrahydro-1H-3-benzazepin-6-yl)prop-1-en-2-ol
CID 163862535
6-butyl-2,3,4,5-tetrahydro-1H-3-benzazepine;ethane
CID 142198128
(1S)-7-fluoro-1-methyl-3,4-dihydro-2H-isoquinolin-1-ol
CID 155312725
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
6-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 142671195
6-fluorospiro[1,2,3,5-tetrahydro-3-benzazepine-4,1'-cyclopropane]
CID 115018593
2-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-[1,3]oxazolo[5,4-i][3]benzazepine
CID 59828816
3-tert-butyl-7,8,9,10-tetrahydro-6H-[1,2]oxazolo[4,5-i][3]benzazepine
CID 176741829
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 96972246
2-(2,3-dihydro-1H-inden-4-yl)-2-methylpyrrolidine
CID 117290346

Frequently Asked Questions

What is the IUPAC name of 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol?
The IUPAC name of 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol (CID 141413234) is 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol.
What is the SMILES notation for 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol?
The canonical SMILES for 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol is CC1(O)c2c(ccc3c2CCNCC3)CC1(F)F.
What is the InChIKey of 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol?
The InChIKey is ISIZYEYCGPSXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-13(18)12-10(8-14(13,15)16)3-2-9-4-6-17-7-5-11(9)12/h2-3,17-18H,4-8H2,1H3.
What are the key properties of 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol?
9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol has a molecular weight of 253.29 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluoro-10-methyl-1,2,3,4,5,8-hexahydrocyclopenta[i][3]benzazepin-10-ol is sourced from PubChem (CID 141413234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).