4-chloro-6-fluoro-3-methyl-2H-chromene

C10H8ClFO — CID 68812143

IUPAC4-chloro-6-fluoro-3-methyl-2H-chromene
SMILESCC1=C(Cl)c2cc(F)ccc2OC1
InChIInChI=1S/C10H8ClFO/c1-6-5-13-9-3-2-7(12)4-8(9)10(6)11/h2-4H,5H2,1H3
InChIKeyDQLOMTJHZBCOFO-UHFFFAOYSA-N
MW198.62 g/mol
LogP3.19
Rot. Bonds

About 4-chloro-6-fluoro-3-methyl-2H-chromene

4-chloro-6-fluoro-3-methyl-2H-chromene (PubChem CID 68812143) has the molecular formula C10H8ClFO and a molecular weight of 198.62 g/mol. Its IUPAC name is 4-chloro-6-fluoro-3-methyl-2H-chromene.

Molecular Properties

Compound Name4-chloro-6-fluoro-3-methyl-2H-chromene
PubChem CID68812143
Molecular FormulaC10H8ClFO
Molecular Weight198.62 g/mol
Exact Mass198.02
IUPAC Name4-chloro-6-fluoro-3-methyl-2H-chromene
SMILESCC1=C(Cl)c2cc(F)ccc2OC1
InChIInChI=1S/C10H8ClFO/c1-6-5-13-9-3-2-7(12)4-8(9)10(6)11/h2-4H,5H2,1H3
InChIKeyDQLOMTJHZBCOFO-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-3-methyl-2H-chromene?
The IUPAC name of 4-chloro-6-fluoro-3-methyl-2H-chromene (CID 68812143) is 4-chloro-6-fluoro-3-methyl-2H-chromene.
What is the SMILES notation for 4-chloro-6-fluoro-3-methyl-2H-chromene?
The canonical SMILES for 4-chloro-6-fluoro-3-methyl-2H-chromene is CC1=C(Cl)c2cc(F)ccc2OC1.
What is the InChIKey of 4-chloro-6-fluoro-3-methyl-2H-chromene?
The InChIKey is DQLOMTJHZBCOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO/c1-6-5-13-9-3-2-7(12)4-8(9)10(6)11/h2-4H,5H2,1H3.
What are the key properties of 4-chloro-6-fluoro-3-methyl-2H-chromene?
4-chloro-6-fluoro-3-methyl-2H-chromene has a molecular weight of 198.62 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-3-methyl-2H-chromene is sourced from PubChem (CID 68812143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).