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

C12H15FO — CID 89242615

IUPAC7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc2c(cc1CF)OC(C)CC2
InChIInChI=1S/C12H15FO/c1-8-5-10-4-3-9(2)14-12(10)6-11(8)7-13/h5-6,9H,3-4,7H2,1-2H3
InChIKeyIIPZEYUFAAENGB-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.18
Rot. Bonds1

About 7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene

7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene (PubChem CID 89242615) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
PubChem CID89242615
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
SMILESCc1cc2c(cc1CF)OC(C)CC2
InChIInChI=1S/C12H15FO/c1-8-5-10-4-3-9(2)14-12(10)6-11(8)7-13/h5-6,9H,3-4,7H2,1-2H3
InChIKeyIIPZEYUFAAENGB-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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Frequently Asked Questions

What is the IUPAC name of 7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene (CID 89242615) is 7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene is Cc1cc2c(cc1CF)OC(C)CC2.
What is the InChIKey of 7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
The InChIKey is IIPZEYUFAAENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-8-5-10-4-3-9(2)14-12(10)6-11(8)7-13/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene?
7-(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 7-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 89242615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).