2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene

C18H17F3 — CID 139849259

IUPAC2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(C2CCc3c(ccc(F)c3F)C2)c(F)c1
InChIInChI=1S/C18H17F3/c1-2-11-3-6-14(17(20)9-11)12-4-7-15-13(10-12)5-8-16(19)18(15)21/h3,5-6,8-9,12H,2,4,7,10H2,1H3
InChIKeyPBHCNQBOQLGUKO-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.94
Rot. Bonds2

About 2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene

2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849259) has the molecular formula C18H17F3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139849259
Molecular FormulaC18H17F3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc(C2CCc3c(ccc(F)c3F)C2)c(F)c1
InChIInChI=1S/C18H17F3/c1-2-11-3-6-14(17(20)9-11)12-4-7-15-13(10-12)5-8-16(19)18(15)21/h3,5-6,8-9,12H,2,4,7,10H2,1H3
InChIKeyPBHCNQBOQLGUKO-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene (CID 139849259) is 2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene is CCc1ccc(C2CCc3c(ccc(F)c3F)C2)c(F)c1.
What is the InChIKey of 2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PBHCNQBOQLGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3/c1-2-11-3-6-14(17(20)9-11)12-4-7-15-13(10-12)5-8-16(19)18(15)21/h3,5-6,8-9,12H,2,4,7,10H2,1H3.
What are the key properties of 2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene?
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 290.33 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).