fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane

C37H41F2NO — CID 142368158

About fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane

fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane (PubChem CID 142368158) has the molecular formula C37H41F2NO and a molecular weight of 553.74 g/mol. Its IUPAC name is fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane.

Molecular Properties

• Compound Name: fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane
• PubChem CID: 142368158
• Molecular Formula: C37H41F2NO
• Molecular Weight: 553.74 g/mol
• Exact Mass: 553.32
• IUPAC Name: fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane
• SMILES: C.C=C1CCN(c2ccc(C3c4ccc(OCc5ccccc5)cc4CC[C@@H]3c3ccc(F)cc3)cc2)CC1.CF
• InChI: InChI=1S/C35H34FNO.CH3F.CH4/c1-25-19-21-37(22-20-25)31-14-9-28(10-15-31)35-33(27-7-12-30(36)13-8-27)17-11-29-23-32(16-18-34(29)35)38-24-26-5-3-2-4-6-26;1-2;/h2-10,12-16,18,23,33,35H,1,11,17,19-22,24H2;1H3;1H4/t33-,35?;;/m1../s1
• InChIKey: CVUIKFGNTRVVPK-WBAMJRSJSA-N
• XLogP: 9.64
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.74
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane?

The IUPAC name of fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane (CID 142368158) is fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane.

What is the SMILES notation for fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane?

The canonical SMILES for fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane is C.C=C1CCN(c2ccc(C3c4ccc(OCc5ccccc5)cc4CC[C@@H]3c3ccc(F)cc3)cc2)CC1.CF.

What is the InChIKey of fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane?

The InChIKey is CVUIKFGNTRVVPK-WBAMJRSJSA-N. The full InChI is InChI=1S/C35H34FNO.CH3F.CH4/c1-25-19-21-37(22-20-25)31-14-9-28(10-15-31)35-33(27-7-12-30(36)13-8-27)17-11-29-23-32(16-18-34(29)35)38-24-26-5-3-2-4-6-26;1-2;/h2-10,12-16,18,23,33,35H,1,11,17,19-22,24H2;1H3;1H4/t33-,35?;;/m1../s1.

What are the key properties of fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane?

fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane has a molecular weight of 553.74 g/mol, XLogP of 9.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane is sourced from PubChem (CID 142368158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).