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

C16H18FNO — CID 83208716

IUPAC2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C16H18FNO/c17-14-7-5-12(6-8-14)9-18-10-13-3-1-2-4-16(19)15(13)11-18/h5-8,10-11,16,19H,1-4,9H2
InChIKeyWKSHVRYKPPCPFE-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.44
Rot. Bonds2

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

2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (PubChem CID 83208716) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
PubChem CID83208716
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol
SMILESOC1CCCCc2cn(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C16H18FNO/c17-14-7-5-12(6-8-14)9-18-10-13-3-1-2-4-16(19)15(13)11-18/h5-8,10-11,16,19H,1-4,9H2
InChIKeyWKSHVRYKPPCPFE-UHFFFAOYSA-N
XLogP3.44
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11217937
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CID 14046669
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CID 18686463
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CID 18709463
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CID 19804295
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CID 19993750
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CID 19993752
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol (CID 83208716) is 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is OC1CCCCc2cn(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
The InChIKey is WKSHVRYKPPCPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-14-7-5-12(6-8-14)9-18-10-13-3-1-2-4-16(19)15(13)11-18/h5-8,10-11,16,19H,1-4,9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol?
2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol has a molecular weight of 259.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-ol is sourced from PubChem (CID 83208716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).