2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene

C10H10BrFO — CID 69246193

IUPAC2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene
SMILESFc1ccc2c(c1)CCC(CBr)O2
InChIInChI=1S/C10H10BrFO/c11-6-9-3-1-7-5-8(12)2-4-10(7)13-9/h2,4-5,9H,1,3,6H2
InChIKeyUYDKCUSMTFGMGZ-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.91
Rot. Bonds1

About 2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene

2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene (PubChem CID 69246193) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene
PubChem CID69246193
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene
SMILESFc1ccc2c(c1)CCC(CBr)O2
InChIInChI=1S/C10H10BrFO/c11-6-9-3-1-7-5-8(12)2-4-10(7)13-9/h2,4-5,9H,1,3,6H2
InChIKeyUYDKCUSMTFGMGZ-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.91
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

N-benzyl-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]methanamine
CID 54200485
(2S)-6-fluoro-2-propan-2-yl-3,4-dihydro-2H-chromene
CID 129390775
2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)aziridine
CID 145256711
2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone;ethane
CID 143652551
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
1-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethanone
CID 71249247
2-[[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]oxy]ethanol
CID 174629306
(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
CID 14577197
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[(2S)-2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
CID 46782461
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;hydrate
CID 141330874
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)butan-1-ol
CID 161067218
6-fluoro-2-hexan-3-yl-3,4-dihydro-2H-chromene
CID 143057687

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene (CID 69246193) is 2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene is Fc1ccc2c(c1)CCC(CBr)O2.
What is the InChIKey of 2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene?
The InChIKey is UYDKCUSMTFGMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c11-6-9-3-1-7-5-8(12)2-4-10(7)13-9/h2,4-5,9H,1,3,6H2.
What are the key properties of 2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene?
2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene has a molecular weight of 245.09 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 69246193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).