(5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride

C11H15ClFNO — CID 163321447

IUPAC(5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride
SMILESCl.N[C@@H]1CCCCc2c1ccc(O)c2F
InChIInChI=1S/C11H14FNO.ClH/c12-11-8-3-1-2-4-9(13)7(8)5-6-10(11)14;/h5-6,9,14H,1-4,13H2;1H/t9-;/m1./s1
InChIKeyCZTYPTFSHMMRFV-SBSPUUFOSA-N
MW231.70 g/mol
LogP2.68
Rot. Bonds

About (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride

(5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride (PubChem CID 163321447) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride.

Molecular Properties

Compound Name(5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride
PubChem CID163321447
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name(5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride
SMILESCl.N[C@@H]1CCCCc2c1ccc(O)c2F
InChIInChI=1S/C11H14FNO.ClH/c12-11-8-3-1-2-4-9(13)7(8)5-6-10(11)14;/h5-6,9,14H,1-4,13H2;1H/t9-;/m1./s1
InChIKeyCZTYPTFSHMMRFV-SBSPUUFOSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride?
The IUPAC name of (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride (CID 163321447) is (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride.
What is the SMILES notation for (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride?
The canonical SMILES for (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride is Cl.N[C@@H]1CCCCc2c1ccc(O)c2F.
What is the InChIKey of (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride?
The InChIKey is CZTYPTFSHMMRFV-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c12-11-8-3-1-2-4-9(13)7(8)5-6-10(11)14;/h5-6,9,14H,1-4,13H2;1H/t9-;/m1./s1.
What are the key properties of (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride?
(5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-1-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol;hydrochloride is sourced from PubChem (CID 163321447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).