2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

C16H17F2NO — CID 83207684

IUPAC2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(Cc3cccc(F)c3F)cc21
InChIInChI=1S/C16H17F2NO/c17-14-6-3-5-12(16(14)18)9-19-8-11-4-1-2-7-15(20)13(11)10-19/h3,5-6,8,10,15,20H,1-2,4,7,9H2
InChIKeyCYWNXBMILNEDKN-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.57
Rot. Bonds2

About 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol

2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83207684) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83207684
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(Cc3cccc(F)c3F)cc21
InChIInChI=1S/C16H17F2NO/c17-14-6-3-5-12(16(14)18)9-19-8-11-4-1-2-7-15(20)13(11)10-19/h3,5-6,8,10,15,20H,1-2,4,7,9H2
InChIKeyCYWNXBMILNEDKN-UHFFFAOYSA-N
XLogP3.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83207684) is 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is OC1CCCCc2cn(Cc3cccc(F)c3F)cc21.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is CYWNXBMILNEDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-14-6-3-5-12(16(14)18)9-19-8-11-4-1-2-7-15(20)13(11)10-19/h3,5-6,8,10,15,20H,1-2,4,7,9H2.
What are the key properties of 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 277.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83207684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).