4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene

C16H13BrF2O — CID 63710116

IUPAC4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESFc1ccc(C(Br)C2CCOc3ccccc32)c(F)c1
InChIInChI=1S/C16H13BrF2O/c17-16(13-6-5-10(18)9-14(13)19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16H,7-8H2
InChIKeyJQGRUCJBRCBPLS-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.97
Rot. Bonds2

About 4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene

4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene (PubChem CID 63710116) has the molecular formula C16H13BrF2O and a molecular weight of 339.18 g/mol. Its IUPAC name is 4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene
PubChem CID63710116
Molecular FormulaC16H13BrF2O
Molecular Weight339.18 g/mol
Exact Mass338.01
IUPAC Name4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene
SMILESFc1ccc(C(Br)C2CCOc3ccccc32)c(F)c1
InChIInChI=1S/C16H13BrF2O/c17-16(13-6-5-10(18)9-14(13)19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16H,7-8H2
InChIKeyJQGRUCJBRCBPLS-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709739
2-(2,4-difluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65410661
2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409973
4-[bromo-(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63710823
(5-bromo-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 79742581
4-[bromo-(3-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 80536724
4-[bromo-(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromene
CID 63708837
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409768
1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 79723538
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 106762643
2-(3-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 79700043

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene (CID 63710116) is 4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene is Fc1ccc(C(Br)C2CCOc3ccccc32)c(F)c1.
What is the InChIKey of 4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is JQGRUCJBRCBPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2O/c17-16(13-6-5-10(18)9-14(13)19)12-7-8-20-15-4-2-1-3-11(12)15/h1-6,9,12,16H,7-8H2.
What are the key properties of 4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene?
4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 339.18 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(2,4-difluorophenyl)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 63710116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).