[(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

C21H23F2NO3 — CID 175498082

About [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate

[(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (PubChem CID 175498082) has the molecular formula C21H23F2NO3 and a molecular weight of 375.42 g/mol. Its IUPAC name is [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

Molecular Properties

• Compound Name: [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
• PubChem CID: 175498082
• Molecular Formula: C21H23F2NO3
• Molecular Weight: 375.42 g/mol
• Exact Mass: 375.16
• IUPAC Name: [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate
• SMILES: CC(C)Oc1ccc(-c2cc3c(cc2F)[C@H](OC(N)=O)C(C)(C)C3)cc1F
• InChI: InChI=1S/C21H23F2NO3/c1-11(2)26-18-6-5-12(8-17(18)23)14-7-13-10-21(3,4)19(27-20(24)25)15(13)9-16(14)22/h5-9,11,19H,10H2,1-4H3,(H2,24,25)/t19-/m0/s1
• InChIKey: OCGVTIKSPOSREJ-IBGZPJMESA-N
• XLogP: 5.14
• TPSA: 61.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.42
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?

The IUPAC name of [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate (CID 175498082) is [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate.

What is the SMILES notation for [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?

The canonical SMILES for [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is CC(C)Oc1ccc(-c2cc3c(cc2F)[C@H](OC(N)=O)C(C)(C)C3)cc1F.

What is the InChIKey of [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?

The InChIKey is OCGVTIKSPOSREJ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23F2NO3/c1-11(2)26-18-6-5-12(8-17(18)23)14-7-13-10-21(3,4)19(27-20(24)25)15(13)9-16(14)22/h5-9,11,19H,10H2,1-4H3,(H2,24,25)/t19-/m0/s1.

What are the key properties of [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate?

[(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate has a molecular weight of 375.42 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R)-6-fluoro-5-(3-fluoro-4-propan-2-yloxyphenyl)-2,2-dimethyl-1,3-dihydroinden-1-yl] carbamate is sourced from PubChem (CID 175498082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).