1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene

C17H15ClF2 — CID 70907249

IUPAC1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESFc1ccc(F)c2c1CCCC2Cc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2/c18-13-6-4-11(5-7-13)10-12-2-1-3-14-15(19)8-9-16(20)17(12)14/h4-9,12H,1-3,10H2
InChIKeyPYEIIHXLRXPQDC-UHFFFAOYSA-N
MW292.76 g/mol
LogP5.28
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene

1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 70907249) has the molecular formula C17H15ClF2 and a molecular weight of 292.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID70907249
Molecular FormulaC17H15ClF2
Molecular Weight292.76 g/mol
Exact Mass292.08
IUPAC Name1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene
SMILESFc1ccc(F)c2c1CCCC2Cc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClF2/c18-13-6-4-11(5-7-13)10-12-2-1-3-14-15(19)8-9-16(20)17(12)14/h4-9,12H,1-3,10H2
InChIKeyPYEIIHXLRXPQDC-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.76
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene (CID 70907249) is 1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene is Fc1ccc(F)c2c1CCCC2Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PYEIIHXLRXPQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2/c18-13-6-4-11(5-7-13)10-12-2-1-3-14-15(19)8-9-16(20)17(12)14/h4-9,12H,1-3,10H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene?
1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 292.76 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5,8-difluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 70907249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).