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

C18H18ClF — CID 79433976

IUPAC5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
SMILESFc1cccc(C(CCl)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H18ClF/c19-12-17(16-5-2-6-18(20)11-16)10-13-7-8-14-3-1-4-15(14)9-13/h2,5-9,11,17H,1,3-4,10,12H2
InChIKeyDBVPLKGGNVQTFZ-UHFFFAOYSA-N
MW288.79 g/mol
LogP4.88
Rot. Bonds4

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

5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene (PubChem CID 79433976) has the molecular formula C18H18ClF and a molecular weight of 288.79 g/mol. Its IUPAC name is 5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
PubChem CID79433976
Molecular FormulaC18H18ClF
Molecular Weight288.79 g/mol
Exact Mass288.11
IUPAC Name5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
SMILESFc1cccc(C(CCl)Cc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C18H18ClF/c19-12-17(16-5-2-6-18(20)11-16)10-13-7-8-14-3-1-4-15(14)9-13/h2,5-9,11,17H,1,3-4,10,12H2
InChIKeyDBVPLKGGNVQTFZ-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 54.88
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-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 66041314
1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
CID 79431465
5-(3-chloro-2-methylpropyl)-2,3-dihydro-1H-indene
CID 66034063
2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
CID 79431470
2-chloro-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-fluorobenzene
CID 103042092
4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene
CID 79433235
5-[3-bromo-2-(2-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 79454542
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
1-(2,6-difluorophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-2-ol
CID 115803489
5-(3-fluorophenyl)-2,3-dihydro-1H-indene
CID 54342765
5-[2-(chloromethyl)-4-methylpentyl]-2,3-dihydro-1H-indene
CID 66033857

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene (CID 79433976) is 5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene is Fc1cccc(C(CCl)Cc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
The InChIKey is DBVPLKGGNVQTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF/c19-12-17(16-5-2-6-18(20)11-16)10-13-7-8-14-3-1-4-15(14)9-13/h2,5-9,11,17H,1,3-4,10,12H2.
What are the key properties of 5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene?
5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene has a molecular weight of 288.79 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 79433976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).