1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene

C20H24F4 — CID 139893704

IUPAC1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene
SMILESCC(C)(C)C(F)(F)c1cccc2c(C(F)(F)C(C)(C)C)cccc12
InChIInChI=1S/C20H24F4/c1-17(2,3)19(21,22)15-11-7-10-14-13(15)9-8-12-16(14)20(23,24)18(4,5)6/h7-12H,1-6H3
InChIKeyDWKOWYNXGQGRKQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP7.12
Rot. Bonds2

About 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene

1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene (PubChem CID 139893704) has the molecular formula C20H24F4 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene.

Molecular Properties

Compound Name1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene
PubChem CID139893704
Molecular FormulaC20H24F4
Molecular Weight340.40 g/mol
Exact Mass340.18
IUPAC Name1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene
SMILESCC(C)(C)C(F)(F)c1cccc2c(C(F)(F)C(C)(C)C)cccc12
InChIInChI=1S/C20H24F4/c1-17(2,3)19(21,22)15-11-7-10-14-13(15)9-8-12-16(14)20(23,24)18(4,5)6/h7-12H,1-6H3
InChIKeyDWKOWYNXGQGRKQ-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene?
The IUPAC name of 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene (CID 139893704) is 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene.
What is the SMILES notation for 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene?
The canonical SMILES for 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene is CC(C)(C)C(F)(F)c1cccc2c(C(F)(F)C(C)(C)C)cccc12.
What is the InChIKey of 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene?
The InChIKey is DWKOWYNXGQGRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4/c1-17(2,3)19(21,22)15-11-7-10-14-13(15)9-8-12-16(14)20(23,24)18(4,5)6/h7-12H,1-6H3.
What are the key properties of 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene?
1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene has a molecular weight of 340.40 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene is sourced from PubChem (CID 139893704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).