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

C16H17F2NO — CID 83207766

IUPAC2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(Cc3ccc(F)c(F)c3)cc21
InChIInChI=1S/C16H17F2NO/c17-14-6-5-11(7-15(14)18)8-19-9-12-3-1-2-4-16(20)13(12)10-19/h5-7,9-10,16,20H,1-4,8H2
InChIKeySIGVUTRJVVWOCF-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.57
Rot. Bonds2

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

2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83207766) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83207766
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(Cc3ccc(F)c(F)c3)cc21
InChIInChI=1S/C16H17F2NO/c17-14-6-5-11(7-15(14)18)8-19-9-12-3-1-2-4-16(20)13(12)10-19/h5-7,9-10,16,20H,1-4,8H2
InChIKeySIGVUTRJVVWOCF-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-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol with MolForge

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Related Compounds

(3-Fluoro-4-pyridinyl)-phenylmethanol
CID 81748643
(2,3,4,5,6-Pentafluorophenyl)-pyridin-4-ylmethanol
CID 135039807
Phenyl(pyrrol-1-yl)methanol
CID 11378781
(3-Fluorophenyl)-pyridin-4-ylmethanol
CID 11217937
(4-Fluorophenyl)(pyridin-4-yl)methanol
CID 11356156
2,6-Difluoro-3-(1H-pyrrol-1-yl)benzenemethanol
CID 15581757
(2E)-1-(4-fluorophenyl)-2-(pyridin-3-ylmethylidene)hexan-1-ol
CID 19804295
[4-(4-Fluorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methanol
CID 19993750
[4-(4-Fluorophenyl)-2-methyl-1-propan-2-ylpyrrol-3-yl]methanol
CID 19993752
[4-(4-Fluorophenyl)-1,2-di(propan-2-yl)pyrrol-3-yl]methanol
CID 19993758
[1-Cyclohexyl-4-(4-fluorophenyl)-2-propan-2-ylpyrrol-3-yl]methanol
CID 19993791
[4-(4-Fluorophenyl)-1-phenyl-2-propan-2-ylpyrrol-3-yl]methanol
CID 19993794

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83207766) is 2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is OC1CCCCc2cn(Cc3ccc(F)c(F)c3)cc21.
What is the InChIKey of 2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is SIGVUTRJVVWOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-14-6-5-11(7-15(14)18)8-19-9-12-3-1-2-4-16(20)13(12)10-19/h5-7,9-10,16,20H,1-4,8H2.
What are the key properties of 2-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[(3,4-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-[(3,4-difluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83207766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).