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

C16H14BrF — CID 63437148

IUPAC5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H14BrF/c17-16(12-6-8-15(18)9-7-12)14-5-4-11-2-1-3-13(11)10-14/h4-10,16H,1-3H2
InChIKeyPDSZWYCQSGTCES-UHFFFAOYSA-N
MW305.19 g/mol
LogP4.80
Rot. Bonds2

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

5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene (PubChem CID 63437148) has the molecular formula C16H14BrF and a molecular weight of 305.19 g/mol. Its IUPAC name is 5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
PubChem CID63437148
Molecular FormulaC16H14BrF
Molecular Weight305.19 g/mol
Exact Mass304.03
IUPAC Name5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene
SMILESFc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H14BrF/c17-16(12-6-8-15(18)9-7-12)14-5-4-11-2-1-3-13(11)10-14/h4-10,16H,1-3H2
InChIKeyPDSZWYCQSGTCES-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 54.80
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-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
6-[bromo-(2-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439529
6-[bromo-(5-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63438997
5-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63441578
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
5-[bromo-(4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63437562
6-[bromo-(4-bromo-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439086
6-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107991592
5-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63440402
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
2-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]naphthalene
CID 63440446

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene (CID 63437148) is 5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene is Fc1ccc(C(Br)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene?
The InChIKey is PDSZWYCQSGTCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF/c17-16(12-6-8-15(18)9-7-12)14-5-4-11-2-1-3-13(11)10-14/h4-10,16H,1-3H2.
What are the key properties of 5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene?
5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene has a molecular weight of 305.19 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-(4-fluorophenyl)methyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 63437148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).