5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene

C17H16ClF — CID 81477360

IUPAC5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCc1cccc(C(Cl)c2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C17H16ClF/c1-11-4-2-7-15(17(11)19)16(18)14-9-8-12-5-3-6-13(12)10-14/h2,4,7-10,16H,3,5-6H2,1H3
InChIKeyJCGDEUGUNNYHDI-UHFFFAOYSA-N
MW274.77 g/mol
LogP4.95
Rot. Bonds2

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

5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 81477360) has the molecular formula C17H16ClF and a molecular weight of 274.77 g/mol. Its IUPAC name is 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID81477360
Molecular FormulaC17H16ClF
Molecular Weight274.77 g/mol
Exact Mass274.09
IUPAC Name5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
SMILESCc1cccc(C(Cl)c2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C17H16ClF/c1-11-4-2-7-15(17(11)19)16(18)14-9-8-12-5-3-6-13(12)10-14/h2,4,7-10,16H,3,5-6H2,1H3
InChIKeyJCGDEUGUNNYHDI-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 54.95
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

6-[chloro-(2-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 81461136
5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 103303651
5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81473689
5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63432035
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-methyl-3H-indol-2-one
CID 81481123
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
(2-bromo-3-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 107983332
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684
2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran
CID 61086619
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene (CID 81477360) is 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene is Cc1cccc(C(Cl)c2ccc3c(c2)CCC3)c1F.
What is the InChIKey of 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is JCGDEUGUNNYHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF/c1-11-4-2-7-15(17(11)19)16(18)14-9-8-12-5-3-6-13(12)10-14/h2,4,7-10,16H,3,5-6H2,1H3.
What are the key properties of 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene?
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 274.77 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 81477360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).