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

C17H15Cl2F — CID 81461136

IUPAC6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESFc1cccc(C(Cl)c2ccc3c(c2)CCCC3)c1Cl
InChIInChI=1S/C17H15Cl2F/c18-16(14-6-3-7-15(20)17(14)19)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10,16H,1-2,4-5H2
InChIKeyKVGJIBVEVBHPGP-UHFFFAOYSA-N
MW309.21 g/mol
LogP5.69
Rot. Bonds2

About 6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene

6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 81461136) has the molecular formula C17H15Cl2F and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID81461136
Molecular FormulaC17H15Cl2F
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
SMILESFc1cccc(C(Cl)c2ccc3c(c2)CCCC3)c1Cl
InChIInChI=1S/C17H15Cl2F/c18-16(14-6-3-7-15(20)17(14)19)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10,16H,1-2,4-5H2
InChIKeyKVGJIBVEVBHPGP-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.21
LogP ≤ 55.69
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

(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81477360
5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63432035
5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 103303651
6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431220
6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439442
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430805
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579

Frequently Asked Questions

What is the IUPAC name of 6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene (CID 81461136) is 6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is Fc1cccc(C(Cl)c2ccc3c(c2)CCCC3)c1Cl.
What is the InChIKey of 6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KVGJIBVEVBHPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F/c18-16(14-6-3-7-15(20)17(14)19)13-9-8-11-4-1-2-5-12(11)10-13/h3,6-10,16H,1-2,4-5H2.
What are the key properties of 6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene?
6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 309.21 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 81461136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).