fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile

C24H32FNO — CID 162688008

About fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile

fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile (PubChem CID 162688008) has the molecular formula C24H32FNO and a molecular weight of 369.52 g/mol. Its IUPAC name is fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile.

Molecular Properties

• Compound Name: fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile
• PubChem CID: 162688008
• Molecular Formula: C24H32FNO
• Molecular Weight: 369.52 g/mol
• Exact Mass: 369.25
• IUPAC Name: fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile
• SMILES: C/C=C\C1(C)/C(=C\C=O)CCC2C1CCC13C=C(CC#N)C1CCC23.CF
• InChI: InChI=1S/C23H29NO.CH3F/c1-3-11-22(2)17(10-14-25)4-5-18-20(22)8-12-23-15-16(9-13-24)19(23)6-7-21(18)23;1-2/h3,10-11,14-15,18-21H,4-9,12H2,1-2H3;1H3/b11-3-,17-10-
• InChIKey: WJDVGIANOQCJEM-WEOOUJKBSA-N
• XLogP: 5.97
• TPSA: 40.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	369.52
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile?

The IUPAC name of fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile (CID 162688008) is fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile.

What is the SMILES notation for fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile?

The canonical SMILES for fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile is C/C=C\C1(C)/C(=C\C=O)CCC2C1CCC13C=C(CC#N)C1CCC23.CF.

What is the InChIKey of fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile?

The InChIKey is WJDVGIANOQCJEM-WEOOUJKBSA-N. The full InChI is InChI=1S/C23H29NO.CH3F/c1-3-11-22(2)17(10-14-25)4-5-18-20(22)8-12-23-15-16(9-13-24)19(23)6-7-21(18)23;1-2/h3,10-11,14-15,18-21H,4-9,12H2,1-2H3;1H3/b11-3-,17-10-;.

What are the key properties of fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile?

fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile has a molecular weight of 369.52 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for fluoromethane;2-[(6Z)-5-methyl-6-(2-oxoethylidene)-5-[(Z)-prop-1-enyl]-14-tetracyclo[8.5.0.01,13.04,9]pentadec-14-enyl]acetonitrile is sourced from PubChem (CID 162688008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).