7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene

C12H14F2O — CID 11535833

IUPAC7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
SMILESCCCC1CCc2ccc(F)c(F)c2O1
InChIInChI=1S/C12H14F2O/c1-2-3-9-6-4-8-5-7-10(13)11(14)12(8)15-9/h5,7,9H,2-4,6H2,1H3
InChIKeyAGFCDCQVBLOBNV-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.46
Rot. Bonds2

About 7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene

7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene (PubChem CID 11535833) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
PubChem CID11535833
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
SMILESCCCC1CCc2ccc(F)c(F)c2O1
InChIInChI=1S/C12H14F2O/c1-2-3-9-6-4-8-5-7-10(13)11(14)12(8)15-9/h5,7,9H,2-4,6H2,1H3
InChIKeyAGFCDCQVBLOBNV-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene?
The IUPAC name of 7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene (CID 11535833) is 7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene is CCCC1CCc2ccc(F)c(F)c2O1.
What is the InChIKey of 7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene?
The InChIKey is AGFCDCQVBLOBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-2-3-9-6-4-8-5-7-10(13)11(14)12(8)15-9/h5,7,9H,2-4,6H2,1H3.
What are the key properties of 7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene?
7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene has a molecular weight of 212.24 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 11535833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).