7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene

C34H45F3O — CID 59795102

About 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene

7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene (PubChem CID 59795102) has the molecular formula C34H45F3O and a molecular weight of 526.73 g/mol. Its IUPAC name is 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene.

Molecular Properties

• Compound Name: 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
• PubChem CID: 59795102
• Molecular Formula: C34H45F3O
• Molecular Weight: 526.73 g/mol
• Exact Mass: 526.34
• IUPAC Name: 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene
• SMILES: CCCC1CCC(c2ccc(-c3cc4c(c(F)c3C(F)F)OC(C3CCC(CCC)CC3)CC4)cc2)CC1
• InChI: InChI=1S/C34H45F3O/c1-3-5-22-7-11-24(12-8-22)25-15-17-26(18-16-25)29-21-28-19-20-30(27-13-9-23(6-4-2)10-14-27)38-33(28)32(35)31(29)34(36)37/h15-18,21-24,27,30,34H,3-14,19-20H2,1-2H3
• InChIKey: PNGJFQIVWNKGQP-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.73
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene?

The IUPAC name of 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene (CID 59795102) is 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene.

What is the SMILES notation for 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene?

The canonical SMILES for 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene is CCCC1CCC(c2ccc(-c3cc4c(c(F)c3C(F)F)OC(C3CCC(CCC)CC3)CC4)cc2)CC1.

What is the InChIKey of 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene?

The InChIKey is PNGJFQIVWNKGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45F3O/c1-3-5-22-7-11-24(12-8-22)25-15-17-26(18-16-25)29-21-28-19-20-30(27-13-9-23(6-4-2)10-14-27)38-33(28)32(35)31(29)34(36)37/h15-18,21-24,27,30,34H,3-14,19-20H2,1-2H3.

What are the key properties of 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene?

7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene has a molecular weight of 526.73 g/mol, XLogP of 10.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethyl)-8-fluoro-2-(4-propylcyclohexyl)-6-[4-(4-propylcyclohexyl)phenyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).