5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene

C16H13Cl2F — CID 63432035

IUPAC5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1cc(Cl)ccc1C(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H13Cl2F/c17-13-6-7-14(15(19)9-13)16(18)12-5-4-10-2-1-3-11(10)8-12/h4-9,16H,1-3H2
InChIKeyFHUMAQVTNNDNLI-UHFFFAOYSA-N
MW295.18 g/mol
LogP5.30
Rot. Bonds2

About 5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene

5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 63432035) has the molecular formula C16H13Cl2F and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID63432035
Molecular FormulaC16H13Cl2F
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1cc(Cl)ccc1C(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H13Cl2F/c17-13-6-7-14(15(19)9-13)16(18)12-5-4-10-2-1-3-11(10)8-12/h4-9,16H,1-3H2
InChIKeyFHUMAQVTNNDNLI-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.18
LogP ≤ 55.30
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

5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 103303651
6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430805
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 81461136
4-chloro-1-[chloro-(4-fluorophenyl)methyl]-2-fluorobenzene
CID 55198108
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81477360
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
6-[chloro-(5-chloro-2-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63435317
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
5-[bromo-(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63440957
5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol
CID 79755380

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene (CID 63432035) is 5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene is Fc1cc(Cl)ccc1C(Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is FHUMAQVTNNDNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F/c17-13-6-7-14(15(19)9-13)16(18)12-5-4-10-2-1-3-11(10)8-12/h4-9,16H,1-3H2.
What are the key properties of 5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene?
5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 295.18 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63432035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).