6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene

C11H12ClFO — CID 57131856

IUPAC6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene
SMILESCC1(C)COc2cc(F)c(Cl)cc2C1
InChIInChI=1S/C11H12ClFO/c1-11(2)5-7-3-8(12)9(13)4-10(7)14-6-11/h3-4H,5-6H2,1-2H3
InChIKeyNMCWLGPOMHXQSR-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.44
Rot. Bonds

About 6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene

6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene (PubChem CID 57131856) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene.

Molecular Properties

Compound Name6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene
PubChem CID57131856
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene
SMILESCC1(C)COc2cc(F)c(Cl)cc2C1
InChIInChI=1S/C11H12ClFO/c1-11(2)5-7-3-8(12)9(13)4-10(7)14-6-11/h3-4H,5-6H2,1-2H3
InChIKeyNMCWLGPOMHXQSR-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(3Z)-6-chloro-3-[(4-chlorophenyl)methylidene]-4H-chromene
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6-chloro-3-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 45268978
6-chloro-3-[(4-chlorophenyl)methyl]-2H-chromene
CID 45272388
6-chloro-3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromene
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6-chloro-3-[(E)-3-phenylprop-1-enyl]-2H-chromene
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6-chloro-3-[3-(3-chlorophenyl)propyl]-3,4-dihydro-2H-chromene
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene?
The IUPAC name of 6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene (CID 57131856) is 6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene.
What is the SMILES notation for 6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene?
The canonical SMILES for 6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene is CC1(C)COc2cc(F)c(Cl)cc2C1.
What is the InChIKey of 6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene?
The InChIKey is NMCWLGPOMHXQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-11(2)5-7-3-8(12)9(13)4-10(7)14-6-11/h3-4H,5-6H2,1-2H3.
What are the key properties of 6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene?
6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene has a molecular weight of 214.67 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3,3-dimethyl-2,4-dihydrochromene is sourced from PubChem (CID 57131856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).