(4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine

C16H20FNO — CID 154058249

IUPAC(4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine
SMILESCON=C1c2ccc(F)cc2[C@H]2[C@@H]1CCCC2(C)C
InChIInChI=1S/C16H20FNO/c1-16(2)8-4-5-12-14(16)13-9-10(17)6-7-11(13)15(12)18-19-3/h6-7,9,12,14H,4-5,8H2,1-3H3/t12-,14+/m0/s1
InChIKeyWPZRVEANVVWLQJ-GXTWGEPZSA-N
MW261.34 g/mol
LogP4.10
Rot. Bonds1

About (4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine

(4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine (PubChem CID 154058249) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is (4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine.

Molecular Properties

Compound Name(4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine
PubChem CID154058249
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name(4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine
SMILESCON=C1c2ccc(F)cc2[C@H]2[C@@H]1CCCC2(C)C
InChIInChI=1S/C16H20FNO/c1-16(2)8-4-5-12-14(16)13-9-10(17)6-7-11(13)15(12)18-19-3/h6-7,9,12,14H,4-5,8H2,1-3H3/t12-,14+/m0/s1
InChIKeyWPZRVEANVVWLQJ-GXTWGEPZSA-N
XLogP4.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine?
The IUPAC name of (4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine (CID 154058249) is (4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine.
What is the SMILES notation for (4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine?
The canonical SMILES for (4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine is CON=C1c2ccc(F)cc2[C@H]2[C@@H]1CCCC2(C)C.
What is the InChIKey of (4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine?
The InChIKey is WPZRVEANVVWLQJ-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H20FNO/c1-16(2)8-4-5-12-14(16)13-9-10(17)6-7-11(13)15(12)18-19-3/h6-7,9,12,14H,4-5,8H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine?
(4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine has a molecular weight of 261.34 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aS)-6-fluoro-N-methoxy-4,4-dimethyl-2,3,4a,9a-tetrahydro-1H-fluoren-9-imine is sourced from PubChem (CID 154058249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).