[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine

C9H10FN — CID 98041428

IUPAC[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
SMILESNC[C@H]1Cc2ccc(F)cc21
InChIInChI=1S/C9H10FN/c10-8-2-1-6-3-7(5-11)9(6)4-8/h1-2,4,7H,3,5,11H2/t7-/m1/s1
InChIKeyGYCQVPATIRKHMZ-SSDOTTSWSA-N
MW151.18 g/mol
LogP1.42
Rot. Bonds1

About [(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine

[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine (PubChem CID 98041428) has the molecular formula C9H10FN and a molecular weight of 151.18 g/mol. Its IUPAC name is [(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine.

Molecular Properties

Compound Name[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
PubChem CID98041428
Molecular FormulaC9H10FN
Molecular Weight151.18 g/mol
Exact Mass151.08
IUPAC Name[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
SMILESNC[C@H]1Cc2ccc(F)cc21
InChIInChI=1S/C9H10FN/c10-8-2-1-6-3-7(5-11)9(6)4-8/h1-2,4,7H,3,5,11H2/t7-/m1/s1
InChIKeyGYCQVPATIRKHMZ-SSDOTTSWSA-N
XLogP1.42
TPSA26.02 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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741
(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride
CID 162342276
(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
CID 165410508
(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 55263545
(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241121
2-(6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-yl)propan-1-amine
CID 112716066
(5-fluoro-1-propan-2-yl-2,3-dihydroindol-3-yl)methanamine
CID 83861224
(6-fluoro-2,2-dimethyl-1,3-dihydroinden-1-yl)methanamine
CID 83907573
(7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 83907571
4-(aminomethyl)-7-fluoro-3,4-dihydro-2H-naphthalen-1-one
CID 82505065
4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105429571
(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545575

Frequently Asked Questions

What is the IUPAC name of [(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine?
The IUPAC name of [(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine (CID 98041428) is [(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine.
What is the SMILES notation for [(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine?
The canonical SMILES for [(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine is NC[C@H]1Cc2ccc(F)cc21.
What is the InChIKey of [(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine?
The InChIKey is GYCQVPATIRKHMZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10FN/c10-8-2-1-6-3-7(5-11)9(6)4-8/h1-2,4,7H,3,5,11H2/t7-/m1/s1.
What are the key properties of [(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine?
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine has a molecular weight of 151.18 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine is sourced from PubChem (CID 98041428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).