2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene

C25H18F4O — CID 174430492

IUPAC2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene
SMILESFc1cc(CC(F)c2ccc3ccccc3c2)ccc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H18F4O/c26-23(20-7-6-17-3-1-2-4-19(17)15-20)13-16-5-12-22(24(27)14-16)18-8-10-21(11-9-18)30-25(28)29/h1-12,14-15,23,25H,13H2
InChIKeyJDHRCRWJQXSADX-UHFFFAOYSA-N
MW410.41 g/mol
LogP7.50
Rot. Bonds6

About 2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene

2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene (PubChem CID 174430492) has the molecular formula C25H18F4O and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene.

Molecular Properties

Compound Name2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene
PubChem CID174430492
Molecular FormulaC25H18F4O
Molecular Weight410.41 g/mol
Exact Mass410.13
IUPAC Name2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene
SMILESFc1cc(CC(F)c2ccc3ccccc3c2)ccc1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C25H18F4O/c26-23(20-7-6-17-3-1-2-4-19(17)15-20)13-16-5-12-22(24(27)14-16)18-8-10-21(11-9-18)30-25(28)29/h1-12,14-15,23,25H,13H2
InChIKeyJDHRCRWJQXSADX-UHFFFAOYSA-N
XLogP7.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.41
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene?
The IUPAC name of 2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene (CID 174430492) is 2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene.
What is the SMILES notation for 2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene?
The canonical SMILES for 2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene is Fc1cc(CC(F)c2ccc3ccccc3c2)ccc1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene?
The InChIKey is JDHRCRWJQXSADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4O/c26-23(20-7-6-17-3-1-2-4-19(17)15-20)13-16-5-12-22(24(27)14-16)18-8-10-21(11-9-18)30-25(28)29/h1-12,14-15,23,25H,13H2.
What are the key properties of 2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene?
2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene has a molecular weight of 410.41 g/mol, XLogP of 7.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[4-(difluoromethoxy)phenyl]-3-fluorophenyl]-1-fluoroethyl]naphthalene is sourced from PubChem (CID 174430492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).