CID 59280730

C9H11FNO — CID 59280730

IUPAC—
SMILES[CH2-][NH+]Cc1c(F)cccc1OC
InChIInChI=1S/C9H11FNO/c1-11-6-7-8(10)4-3-5-9(7)12-2/h3-5,11H,1,6H2,2H3
InChIKeyCQVOHJJARBOVKO-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.48
Rot. Bonds3

About CID 59280730

CID 59280730 (PubChem CID 59280730) has the molecular formula C9H11FNO and a molecular weight of 168.19 g/mol.

Molecular Properties

Compound NameCID 59280730
PubChem CID59280730
Molecular FormulaC9H11FNO
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name—
SMILES[CH2-][NH+]Cc1c(F)cccc1OC
InChIInChI=1S/C9H11FNO/c1-11-6-7-8(10)4-3-5-9(7)12-2/h3-5,11H,1,6H2,2H3
InChIKeyCQVOHJJARBOVKO-UHFFFAOYSA-N
XLogP0.48
TPSA24.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 40786958
3-(2-fluoro-6-methoxyphenyl)-2,2-dimethylpropan-1-amine
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1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889150
1-amino-3-(2-fluoro-6-methoxyphenyl)propan-2-ol
CID 83442464
N-[(2-fluoro-6-methoxyphenyl)methyl]-1-(furan-2-yl)methanamine
CID 65433242
methyl 2-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 83810004
4-[(2-fluoro-6-methoxyphenyl)methyl]piperidine
CID 83809598
2-fluoro-6-methoxy-N-methylaniline;hydrochloride
CID 57362323
ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
CID 134640472
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
magnesium;1-fluoro-2-methoxybenzene;hydride
CID 174440812
3-(2-fluoro-6-methoxyphenyl)prop-2-yne-1-thiol
CID 169486419

Frequently Asked Questions

What is the IUPAC name of CID 59280730?
The IUPAC name of CID 59280730 (CID 59280730) is not available.
What is the SMILES notation for CID 59280730?
The canonical SMILES for CID 59280730 is [CH2-][NH+]Cc1c(F)cccc1OC.
What is the InChIKey of CID 59280730?
The InChIKey is CQVOHJJARBOVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FNO/c1-11-6-7-8(10)4-3-5-9(7)12-2/h3-5,11H,1,6H2,2H3.
What are the key properties of CID 59280730?
CID 59280730 has a molecular weight of 168.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59280730 is sourced from PubChem (CID 59280730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).