8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene

C12H15FO — CID 59795217

IUPAC8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc(CF)c2c(c1)CCC(C)O2
InChIInChI=1S/C12H15FO/c1-8-5-10-4-3-9(2)14-12(10)11(6-8)7-13/h5-6,9H,3-4,7H2,1-2H3
InChIKeyAFMHBARLXKZMHH-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.18
Rot. Bonds1

About 8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene

8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene (PubChem CID 59795217) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
PubChem CID59795217
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc(CF)c2c(c1)CCC(C)O2
InChIInChI=1S/C12H15FO/c1-8-5-10-4-3-9(2)14-12(10)11(6-8)7-13/h5-6,9H,3-4,7H2,1-2H3
InChIKeyAFMHBARLXKZMHH-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Xanthene
CID 7107
2,4-Dimethylanisole
CID 81221
Benzopyran
CID 9211
Flavan
CID 94156
Allyl o-tolyl ether
CID 136749
p-Ethylphenetole
CID 74107
3-benzyl-3,4-dihydro-2H-chromene
CID 15331838
3,4-Dihydro-6-methyl-2H-1-benzopyran-4-ol
CID 12328973
Chroman
CID 136319
Magreth-19
CID 54592215
2-(2,2-dimethyl-2H-chromen-6-yl)ethanol
CID 637149
Isoflavan
CID 500472

Frequently Asked Questions

What is the IUPAC name of 8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
The IUPAC name of 8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene (CID 59795217) is 8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene is Cc1cc(CF)c2c(c1)CCC(C)O2.
What is the InChIKey of 8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
The InChIKey is AFMHBARLXKZMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-8-5-10-4-3-9(2)14-12(10)11(6-8)7-13/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene has a molecular weight of 194.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).