2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene

C11H15FO — CID 58787098

IUPAC2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
SMILESCCC1CCC2C=C(F)C=CC2O1
InChIInChI=1S/C11H15FO/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10/h4,6-8,10-11H,2-3,5H2,1H3
InChIKeyYQDJZEXSFHPFCX-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.98
Rot. Bonds1

About 2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene

2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene (PubChem CID 58787098) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene.

Molecular Properties

Compound Name2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
PubChem CID58787098
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene
SMILESCCC1CCC2C=C(F)C=CC2O1
InChIInChI=1S/C11H15FO/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10/h4,6-8,10-11H,2-3,5H2,1H3
InChIKeyYQDJZEXSFHPFCX-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene?
The IUPAC name of 2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene (CID 58787098) is 2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene.
What is the SMILES notation for 2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene?
The canonical SMILES for 2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene is CCC1CCC2C=C(F)C=CC2O1.
What is the InChIKey of 2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene?
The InChIKey is YQDJZEXSFHPFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-2-10-5-3-8-7-9(12)4-6-11(8)13-10/h4,6-8,10-11H,2-3,5H2,1H3.
What are the key properties of 2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene?
2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene has a molecular weight of 182.24 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-3,4,4a,8a-tetrahydro-2H-chromene is sourced from PubChem (CID 58787098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).