4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine

C9H10FN — CID 105429571

IUPAC4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
SMILESCNC1Cc2ccc(F)cc21
InChIInChI=1S/C9H10FN/c1-11-9-4-6-2-3-7(10)5-8(6)9/h2-3,5,9,11H,4H2,1H3
InChIKeyODZNGBVOFORHQU-UHFFFAOYSA-N
MW151.18 g/mol
LogP1.64
Rot. Bonds1

About 4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine

4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine (PubChem CID 105429571) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is 4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine.

Molecular Properties

Compound Name4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
PubChem CID105429571
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
SMILESCNC1Cc2ccc(F)cc21
InChIInChI=1S/C9H10FN/c1-11-9-4-6-2-3-7(10)5-8(6)9/h2-3,5,9,11H,4H2,1H3
InChIKeyODZNGBVOFORHQU-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-propylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 165459054
(2R)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334375
(2S)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334377
6-fluoro-1-methyl-4-(methylamino)-3,4-dihydroquinolin-2-one
CID 84621050
6-fluoro-N,3-dimethyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 82887464
7-fluoro-3-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114834283
(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride
CID 162342276
3-ethyl-6-fluoro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63821741
4-(2,5-difluorophenyl)-N-methylcyclohexan-1-amine
CID 116962663
6-fluoro-2-methyl-N-(2-methylcyclopropyl)-2,3-dihydro-1H-inden-1-amine
CID 115716856
6-fluoro-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 79982701
6-fluoro-N-methyl-2,3-dihydro-1H-indol-3-amine
CID 84739527

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The IUPAC name of 4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine (CID 105429571) is 4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine.
What is the SMILES notation for 4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The canonical SMILES for 4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine is CNC1Cc2ccc(F)cc21.
What is the InChIKey of 4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
The InChIKey is ODZNGBVOFORHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN/c1-11-9-4-6-2-3-7(10)5-8(6)9/h2-3,5,9,11H,4H2,1H3.
What are the key properties of 4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine?
4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine has a molecular weight of 151.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine is sourced from PubChem (CID 105429571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).