2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene

C21H23F3 — CID 139849671

IUPAC2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1cc(F)c(CCC2CCc3cc(F)ccc3C2)c(F)c1
InChIInChI=1S/C21H23F3/c1-2-3-15-11-20(23)19(21(24)12-15)9-5-14-4-6-17-13-18(22)8-7-16(17)10-14/h7-8,11-14H,2-6,9-10H2,1H3
InChIKeyDYQOSTZIOUNLGY-UHFFFAOYSA-N
MW332.41 g/mol
LogP5.79
Rot. Bonds5

About 2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene

2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849671) has the molecular formula C21H23F3 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139849671
Molecular FormulaC21H23F3
Molecular Weight332.41 g/mol
Exact Mass332.18
IUPAC Name2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCCc1cc(F)c(CCC2CCc3cc(F)ccc3C2)c(F)c1
InChIInChI=1S/C21H23F3/c1-2-3-15-11-20(23)19(21(24)12-15)9-5-14-4-6-17-13-18(22)8-7-16(17)10-14/h7-8,11-14H,2-6,9-10H2,1H3
InChIKeyDYQOSTZIOUNLGY-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene (CID 139849671) is 2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene is CCCc1cc(F)c(CCC2CCc3cc(F)ccc3C2)c(F)c1.
What is the InChIKey of 2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is DYQOSTZIOUNLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3/c1-2-3-15-11-20(23)19(21(24)12-15)9-5-14-4-6-17-13-18(22)8-7-16(17)10-14/h7-8,11-14H,2-6,9-10H2,1H3.
What are the key properties of 2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene?
2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 332.41 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluoro-4-propylphenyl)ethyl]-6-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).