1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile

C17H20FNO — CID 83069284

IUPAC1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile
SMILESN#CC1(C2(O)CCc3c(F)cccc32)CCCCCC1
InChIInChI=1S/C17H20FNO/c18-15-7-5-6-14-13(15)8-11-17(14,20)16(12-19)9-3-1-2-4-10-16/h5-7,20H,1-4,8-11H2
InChIKeyAQDLVZPGXOTLBI-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.82
Rot. Bonds1

About 1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile

1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile (PubChem CID 83069284) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile
PubChem CID83069284
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile
SMILESN#CC1(C2(O)CCc3c(F)cccc32)CCCCCC1
InChIInChI=1S/C17H20FNO/c18-15-7-5-6-14-13(15)8-11-17(14,20)16(12-19)9-3-1-2-4-10-16/h5-7,20H,1-4,8-11H2
InChIKeyAQDLVZPGXOTLBI-UHFFFAOYSA-N
XLogP3.82
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile (CID 83069284) is 1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile is N#CC1(C2(O)CCc3c(F)cccc32)CCCCCC1.
What is the InChIKey of 1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile?
The InChIKey is AQDLVZPGXOTLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-15-7-5-6-14-13(15)8-11-17(14,20)16(12-19)9-3-1-2-4-10-16/h5-7,20H,1-4,8-11H2.
What are the key properties of 1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile?
1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile has a molecular weight of 273.35 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 83069284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).