1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

C17H15ClF2 — CID 63433876

IUPAC1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESFc1ccc(C(Cl)C2CCCc3ccccc32)c(F)c1
InChIInChI=1S/C17H15ClF2/c18-17(15-9-8-12(19)10-16(15)20)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,17H,3,5,7H2
InChIKeyYAABCNJYFYIFIB-UHFFFAOYSA-N
MW292.76 g/mol
LogP5.36
Rot. Bonds2

About 1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63433876) has the molecular formula C17H15ClF2 and a molecular weight of 292.76 g/mol. Its IUPAC name is 1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63433876
Molecular FormulaC17H15ClF2
Molecular Weight292.76 g/mol
Exact Mass292.08
IUPAC Name1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESFc1ccc(C(Cl)C2CCCc3ccccc32)c(F)c1
InChIInChI=1S/C17H15ClF2/c18-17(15-9-8-12(19)10-16(15)20)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,17H,3,5,7H2
InChIKeyYAABCNJYFYIFIB-UHFFFAOYSA-N
XLogP5.36
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 ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

9-(Chloromethyl)anthracene
CID 32385
9,10-Bis(chloromethyl)anthracene
CID 25219
1-Chloromethylnaphthalene
CID 6845
1,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)
CID 76820
Fluorogesarol
CID 10139
1,1-Bis-(4-fluorophenyl)-2,2-dichloroethane
CID 247988
1,1'-(Chloromethylene)bis(4-fluorobenzene)
CID 2723773
9-(Chloromethyl)-10-methylanthracene
CID 32806
1,5-Bis(chloromethyl)naphthalene
CID 74424
1-(Chloro(phenyl)methyl)-2-fluorobenzene
CID 10727682
1,1'-(4-Chloro-1-butenylidene)bis[4-fluorobenzene]
CID 102392
1-(2-Chloroethyl)naphthalene
CID 3540711

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 63433876) is 1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Fc1ccc(C(Cl)C2CCCc3ccccc32)c(F)c1.
What is the InChIKey of 1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YAABCNJYFYIFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2/c18-17(15-9-8-12(19)10-16(15)20)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,17H,3,5,7H2.
What are the key properties of 1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 292.76 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63433876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).