(4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole

C16H18FN — CID 134969110

IUPAC(4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole
SMILESC=C(C)C[C@@]12CCCCC1=Nc1ccc(F)cc12
InChIInChI=1S/C16H18FN/c1-11(2)10-16-8-4-3-5-15(16)18-14-7-6-12(17)9-13(14)16/h6-7,9H,1,3-5,8,10H2,2H3/t16-/m1/s1
InChIKeyYBDXXXLUFSRNHO-MRXNPFEDSA-N
MW243.32 g/mol
LogP4.69
Rot. Bonds2

About (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole

(4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole (PubChem CID 134969110) has the molecular formula C16H18FN and a molecular weight of 243.32 g/mol. Its IUPAC name is (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name(4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole
PubChem CID134969110
Molecular FormulaC16H18FN
Molecular Weight243.32 g/mol
Exact Mass243.14
IUPAC Name(4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole
SMILESC=C(C)C[C@@]12CCCCC1=Nc1ccc(F)cc12
InChIInChI=1S/C16H18FN/c1-11(2)10-16-8-4-3-5-15(16)18-14-7-6-12(17)9-13(14)16/h6-7,9H,1,3-5,8,10H2,2H3/t16-/m1/s1
InChIKeyYBDXXXLUFSRNHO-MRXNPFEDSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole (CID 134969110) is (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole is C=C(C)C[C@@]12CCCCC1=Nc1ccc(F)cc12.
What is the InChIKey of (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole?
The InChIKey is YBDXXXLUFSRNHO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H18FN/c1-11(2)10-16-8-4-3-5-15(16)18-14-7-6-12(17)9-13(14)16/h6-7,9H,1,3-5,8,10H2,2H3/t16-/m1/s1.
What are the key properties of (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole?
(4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole has a molecular weight of 243.32 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-6-fluoro-4a-(2-methylprop-2-enyl)-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 134969110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).