5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene

C9H7BrClFO — CID 130935590

IUPAC5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene
SMILESFc1cc(Br)c2c(c1)OCCC2Cl
InChIInChI=1S/C9H7BrClFO/c10-6-3-5(12)4-8-9(6)7(11)1-2-13-8/h3-4,7H,1-2H2
InChIKeyJHKDGEZXNACKKC-UHFFFAOYSA-N
MW265.51 g/mol
LogP3.65
Rot. Bonds

About 5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene

5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene (PubChem CID 130935590) has the molecular formula C9H7BrClFO and a molecular weight of 265.51 g/mol. Its IUPAC name is 5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene
PubChem CID130935590
Molecular FormulaC9H7BrClFO
Molecular Weight265.51 g/mol
Exact Mass263.94
IUPAC Name5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene
SMILESFc1cc(Br)c2c(c1)OCCC2Cl
InChIInChI=1S/C9H7BrClFO/c10-6-3-5(12)4-8-9(6)7(11)1-2-13-8/h3-4,7H,1-2H2
InChIKeyJHKDGEZXNACKKC-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.51
LogP ≤ 53.65
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

6-bromo-4-chloro-5-methyl-3,4-dihydro-2H-chromene
CID 130951420
2-(2,6-dibromo-4-fluorophenyl)-1,3-dioxolane
CID 156842053
5-bromo-4,6-dichloro-3,4-dihydro-2H-chromene
CID 130848796
(4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 72942879
N-(2-bromo-4,6-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43347570
(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol
CID 107102402
7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 171613740
4-chloro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 89103867
6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 83078339
(4S)-5,6,7-trifluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252159
5,7-difluoro-2,3-dihydro-1,4-benzodioxine
CID 123274623
3-ethyl-4,6-difluoro-2,3-dihydro-1-benzofuran
CID 171497212

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene (CID 130935590) is 5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene is Fc1cc(Br)c2c(c1)OCCC2Cl.
What is the InChIKey of 5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene?
The InChIKey is JHKDGEZXNACKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClFO/c10-6-3-5(12)4-8-9(6)7(11)1-2-13-8/h3-4,7H,1-2H2.
What are the key properties of 5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene?
5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene has a molecular weight of 265.51 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-7-fluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 130935590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).