(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride

C8H9ClFN — CID 162342276

IUPAC(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride
SMILESCl.N[C@H]1Cc2ccc(F)cc21
InChIInChI=1S/C8H8FN.ClH/c9-6-2-1-5-3-8(10)7(5)4-6;/h1-2,4,8H,3,10H2;1H/t8-;/m0./s1
InChIKeyXLXCRYPOEHNGHM-QRPNPIFTSA-N
MW173.62 g/mol
LogP1.80
Rot. Bonds

About (7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride

(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride (PubChem CID 162342276) has the molecular formula C8H9ClFN and a molecular weight of 173.62 g/mol. Its IUPAC name is (7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride.

Molecular Properties

Compound Name(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride
PubChem CID162342276
Molecular FormulaC8H9ClFN
Molecular Weight173.62 g/mol
Exact Mass173.04
IUPAC Name(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride
SMILESCl.N[C@H]1Cc2ccc(F)cc21
InChIInChI=1S/C8H8FN.ClH/c9-6-2-1-5-3-8(10)7(5)4-6;/h1-2,4,8H,3,10H2;1H/t8-;/m0./s1
InChIKeyXLXCRYPOEHNGHM-QRPNPIFTSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.62
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
(5R)-7-fluoro-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82889661
4-fluoro-N-methylbicyclo[4.2.0]octa-1(6),2,4-trien-7-amine
CID 105429571
2-amino-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432297
(2S)-2-amino-5-fluoro-2,3-dihydroinden-1-one
CID 98010345
(1R,2R)-6-fluoro-1-piperidin-1-yl-2,3-dihydro-1H-inden-2-ol
CID 90077861
(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71757709
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
5-fluoro-2,3-dihydro-1H-indol-3-amine
CID 84739506
4-(2,5-difluorophenyl)cyclohexan-1-amine
CID 83261679

Frequently Asked Questions

What is the IUPAC name of (7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride?
The IUPAC name of (7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride (CID 162342276) is (7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride.
What is the SMILES notation for (7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride?
The canonical SMILES for (7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride is Cl.N[C@H]1Cc2ccc(F)cc21.
What is the InChIKey of (7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride?
The InChIKey is XLXCRYPOEHNGHM-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H8FN.ClH/c9-6-2-1-5-3-8(10)7(5)4-6;/h1-2,4,8H,3,10H2;1H/t8-;/m0./s1.
What are the key properties of (7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride?
(7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride has a molecular weight of 173.62 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-fluorobicyclo[4.2.0]octa-1(6),2,4-trien-7-amine;hydrochloride is sourced from PubChem (CID 162342276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).