6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran

C11H19FO — CID 89247360

IUPAC6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(CC(C)F)CC(C)CO1
InChIInChI=1S/C11H19FO/c1-4-11-10(6-9(3)12)5-8(2)7-13-11/h8-9H,4-7H2,1-3H3
InChIKeyHVBGYNUBCPTGKL-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.45
Rot. Bonds3

About 6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran

6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 89247360) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
PubChem CID89247360
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
SMILESCCC1=C(CC(C)F)CC(C)CO1
InChIInChI=1S/C11H19FO/c1-4-11-10(6-9(3)12)5-8(2)7-13-11/h8-9H,4-7H2,1-3H3
InChIKeyHVBGYNUBCPTGKL-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran (CID 89247360) is 6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran is CCC1=C(CC(C)F)CC(C)CO1.
What is the InChIKey of 6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is HVBGYNUBCPTGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-4-11-10(6-9(3)12)5-8(2)7-13-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran?
6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 186.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).