CID 59528212

C13H14FNO — CID 59528212

IUPAC—
SMILES[CH]N1CCC2(CC1)COc1ccc(F)cc12
InChIInChI=1S/C13H14FNO/c1-15-6-4-13(5-7-15)9-16-12-3-2-10(14)8-11(12)13/h1-3,8H,4-7,9H2
InChIKeyUSOUPKGUDSFJTI-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.22
Rot. Bonds

About CID 59528212

CID 59528212 (PubChem CID 59528212) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol.

Molecular Properties

Compound NameCID 59528212
PubChem CID59528212
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name—
SMILES[CH]N1CCC2(CC1)COc1ccc(F)cc12
InChIInChI=1S/C13H14FNO/c1-15-6-4-13(5-7-15)9-16-12-3-2-10(14)8-11(12)13/h1-3,8H,4-7,9H2
InChIKeyUSOUPKGUDSFJTI-UHFFFAOYSA-N
XLogP2.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]
CID 59433857
5-fluorospiro[2H-1-benzofuran-3,3'-pyrrolidine]
CID 130901339
1'-[[(1S,3S,6S)-3-bicyclo[4.3.1]dec-8-enyl]methyl]-5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]
CID 58624058
2,2,2-trifluoroethyl 3-(5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59433029
6-fluorospiro[2H-chromene-3,1'-cyclopropane]-4-one
CID 82277921
butyl 3-(5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)-8λ3-iodabicyclo[3.2.1]octane-8-carboxylate
CID 159187900
2-methylpropyl N-[3-(5-fluorospiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl)cycloheptyl]carbamate
CID 70957544
1'-methylspiro[2H-1-benzofuran-3,3'-pyrrolidine]-5-amine
CID 131865702
[5-(aminomethyl)spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]-[5-(3,5-difluorophenyl)furan-2-yl]methanone
CID 68739652
5-fluoro-3-methyl-3-prop-2-enyl-2H-1-benzofuran
CID 178102589
6-fluoro-2',3'-dimethylspiro[2,3-dihydrochromene-4,1'-cyclopropane]
CID 58482280
spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile
CID 70984337

Frequently Asked Questions

What is the IUPAC name of CID 59528212?
The IUPAC name of CID 59528212 (CID 59528212) is not available.
What is the SMILES notation for CID 59528212?
The canonical SMILES for CID 59528212 is [CH]N1CCC2(CC1)COc1ccc(F)cc12.
What is the InChIKey of CID 59528212?
The InChIKey is USOUPKGUDSFJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-15-6-4-13(5-7-15)9-16-12-3-2-10(14)8-11(12)13/h1-3,8H,4-7,9H2.
What are the key properties of CID 59528212?
CID 59528212 has a molecular weight of 219.26 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59528212 is sourced from PubChem (CID 59528212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).