2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene

C28H24ClF3 — CID 175235328

IUPAC2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene
SMILESCCCCC(c1ccc(-c2ccc(Cl)c(F)c2)c(F)c1)C(F)c1ccc2ccccc2c1
InChIInChI=1S/C28H24ClF3/c1-2-3-8-24(28(32)22-10-9-18-6-4-5-7-19(18)15-22)21-11-13-23(26(30)16-21)20-12-14-25(29)27(31)17-20/h4-7,9-17,24,28H,2-3,8H2,1H3
InChIKeyTYYYGWTYKQYLMT-UHFFFAOYSA-N
MW452.95 g/mol
LogP9.42
Rot. Bonds7

About 2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene

2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene (PubChem CID 175235328) has the molecular formula C28H24ClF3 and a molecular weight of 452.95 g/mol. Its IUPAC name is 2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene.

Molecular Properties

Compound Name2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene
PubChem CID175235328
Molecular FormulaC28H24ClF3
Molecular Weight452.95 g/mol
Exact Mass452.15
IUPAC Name2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene
SMILESCCCCC(c1ccc(-c2ccc(Cl)c(F)c2)c(F)c1)C(F)c1ccc2ccccc2c1
InChIInChI=1S/C28H24ClF3/c1-2-3-8-24(28(32)22-10-9-18-6-4-5-7-19(18)15-22)21-11-13-23(26(30)16-21)20-12-14-25(29)27(31)17-20/h4-7,9-17,24,28H,2-3,8H2,1H3
InChIKeyTYYYGWTYKQYLMT-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.95
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene?
The IUPAC name of 2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene (CID 175235328) is 2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene.
What is the SMILES notation for 2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene?
The canonical SMILES for 2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene is CCCCC(c1ccc(-c2ccc(Cl)c(F)c2)c(F)c1)C(F)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene?
The InChIKey is TYYYGWTYKQYLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClF3/c1-2-3-8-24(28(32)22-10-9-18-6-4-5-7-19(18)15-22)21-11-13-23(26(30)16-21)20-12-14-25(29)27(31)17-20/h4-7,9-17,24,28H,2-3,8H2,1H3.
What are the key properties of 2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene?
2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene has a molecular weight of 452.95 g/mol, XLogP of 9.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-1-fluorohexyl]naphthalene is sourced from PubChem (CID 175235328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).