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

C16H12ClF3 — CID 103303651

IUPAC5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1cc(F)c(C(Cl)c2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C16H12ClF3/c17-16(12-7-14(19)15(20)8-13(12)18)11-5-4-9-2-1-3-10(9)6-11/h4-8,16H,1-3H2
InChIKeyPYGKKLITVKENSE-UHFFFAOYSA-N
MW296.72 g/mol
LogP4.92
Rot. Bonds2

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

5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 103303651) has the molecular formula C16H12ClF3 and a molecular weight of 296.72 g/mol. Its IUPAC name is 5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID103303651
Molecular FormulaC16H12ClF3
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1cc(F)c(C(Cl)c2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C16H12ClF3/c17-16(12-7-14(19)15(20)8-13(12)18)11-5-4-9-2-1-3-10(9)6-11/h4-8,16H,1-3H2
InChIKeyPYGKKLITVKENSE-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63432035
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302367
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 81461136
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81477360
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81473689
(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 79724772
1-(2,4-difluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 79725625
6-[chloro-(4-chloro-2-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430805
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene (CID 103303651) is 5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene is Fc1cc(F)c(C(Cl)c2ccc3c(c2)CCC3)cc1F.
What is the InChIKey of 5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is PYGKKLITVKENSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3/c17-16(12-7-14(19)15(20)8-13(12)18)11-5-4-9-2-1-3-10(9)6-11/h4-8,16H,1-3H2.
What are the key properties of 5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene?
5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 296.72 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 103303651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).