(5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene

C15H10F10O2 — CID 90179738

About (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene

(5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene (PubChem CID 90179738) has the molecular formula C15H10F10O2 and a molecular weight of 412.22 g/mol. Its IUPAC name is (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene.

Molecular Properties

• Compound Name: (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene
• PubChem CID: 90179738
• Molecular Formula: C15H10F10O2
• Molecular Weight: 412.22 g/mol
• Exact Mass: 412.05
• IUPAC Name: (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene
• SMILES: FCO[C@H]1C=C(F)C([C@H]2C=C(F)C(C(F)(F)OC(F)(F)F)=C(F)C2)=C(F)C1
• InChI: InChI=1S/C15H10F10O2/c16-5-26-7-3-8(17)12(9(18)4-7)6-1-10(19)13(11(20)2-6)14(21,22)27-15(23,24)25/h1,3,6-7H,2,4-5H2/t6-,7-/m0/s1
• InChIKey: LCTXOJCSVHZMKI-BQBZGAKWSA-N
• XLogP: 6.01
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.22
LogP ≤ 5	6.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene?

The IUPAC name of (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene (CID 90179738) is (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene.

What is the SMILES notation for (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene?

The canonical SMILES for (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene is FCO[C@H]1C=C(F)C([C@H]2C=C(F)C(C(F)(F)OC(F)(F)F)=C(F)C2)=C(F)C1.

What is the InChIKey of (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene?

The InChIKey is LCTXOJCSVHZMKI-BQBZGAKWSA-N. The full InChI is InChI=1S/C15H10F10O2/c16-5-26-7-3-8(17)12(9(18)4-7)6-1-10(19)13(11(20)2-6)14(21,22)27-15(23,24)25/h1,3,6-7H,2,4-5H2/t6-,7-/m0/s1.

What are the key properties of (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene?

(5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene has a molecular weight of 412.22 g/mol, XLogP of 6.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-2-[(1R)-4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorocyclohexa-2,4-dien-1-yl]-1,3-difluoro-5-(fluoromethoxy)cyclohexa-1,3-diene is sourced from PubChem (CID 90179738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).