5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran

C11H19FO — CID 89247353

IUPAC5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCCC(F)CC1=C(C)OCC(C)C1
InChIInChI=1S/C11H19FO/c1-4-11(12)6-10-5-8(2)7-13-9(10)3/h8,11H,4-7H2,1-3H3
InChIKeyKFZOIMQZRJJICC-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.45
Rot. Bonds3

About 5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran

5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran (PubChem CID 89247353) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran
PubChem CID89247353
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran
SMILESCCC(F)CC1=C(C)OCC(C)C1
InChIInChI=1S/C11H19FO/c1-4-11(12)6-10-5-8(2)7-13-9(10)3/h8,11H,4-7H2,1-3H3
InChIKeyKFZOIMQZRJJICC-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 5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran (CID 89247353) is 5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran is CCC(F)CC1=C(C)OCC(C)C1.
What is the InChIKey of 5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran?
The InChIKey is KFZOIMQZRJJICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-4-11(12)6-10-5-8(2)7-13-9(10)3/h8,11H,4-7H2,1-3H3.
What are the key properties of 5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran?
5-(2-fluorobutyl)-3,6-dimethyl-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 5-(2-fluorobutyl)-3,6-dimethyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89247353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).