1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile

C15H16FNO — CID 116532491

IUPAC1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(C2(O)CCc3cc(F)ccc32)CCCC1
InChIInChI=1S/C15H16FNO/c16-12-3-4-13-11(9-12)5-8-15(13,18)14(10-17)6-1-2-7-14/h3-4,9,18H,1-2,5-8H2
InChIKeyHGYPVKQLXYXRJU-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.04
Rot. Bonds1

About 1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile

1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile (PubChem CID 116532491) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
PubChem CID116532491
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
SMILESN#CC1(C2(O)CCc3cc(F)ccc32)CCCC1
InChIInChI=1S/C15H16FNO/c16-12-3-4-13-11(9-12)5-8-15(13,18)14(10-17)6-1-2-7-14/h3-4,9,18H,1-2,5-8H2
InChIKeyHGYPVKQLXYXRJU-UHFFFAOYSA-N
XLogP3.04
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 116532488
1-(1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile
CID 79130011
1-(4-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cycloheptane-1-carbonitrile
CID 83069284
1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283
1-(difluoromethyl)-5-fluoro-2,3-dihydroinden-1-ol
CID 116531692
1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile
CID 64560794
1-(ethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
CID 116531183
1-[3-(aminomethyl)-1,1-dioxothiolan-3-yl]-5-fluoro-2,3-dihydroinden-1-ol
CID 116532515
1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874895
1-ethyl-5-fluoro-2,3-dihydroinden-1-ol
CID 59340428
5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile
CID 116531861
1-(cyclopropylmethylamino)-5-fluoro-2,3-dihydroindene-1-carbonitrile
CID 116531236

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile (CID 116532491) is 1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile is N#CC1(C2(O)CCc3cc(F)ccc32)CCCC1.
What is the InChIKey of 1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile?
The InChIKey is HGYPVKQLXYXRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c16-12-3-4-13-11(9-12)5-8-15(13,18)14(10-17)6-1-2-7-14/h3-4,9,18H,1-2,5-8H2.
What are the key properties of 1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile?
1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile has a molecular weight of 245.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 116532491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).