2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran

C14H22F2O — CID 154524202

IUPAC2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran
SMILESCCCC1CCC(C2=COC(F)(F)CC2)CC1
InChIInChI=1S/C14H22F2O/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(15,16)17-10-13/h10-12H,2-9H2,1H3
InChIKeyZBDMEJMYKNUFND-UHFFFAOYSA-N
MW244.32 g/mol
LogP4.88
Rot. Bonds3

About 2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran

2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran (PubChem CID 154524202) has the molecular formula C14H22F2O and a molecular weight of 244.32 g/mol. Its IUPAC name is 2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran.

Molecular Properties

Compound Name2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran
PubChem CID154524202
Molecular FormulaC14H22F2O
Molecular Weight244.32 g/mol
Exact Mass244.16
IUPAC Name2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran
SMILESCCCC1CCC(C2=COC(F)(F)CC2)CC1
InChIInChI=1S/C14H22F2O/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(15,16)17-10-13/h10-12H,2-9H2,1H3
InChIKeyZBDMEJMYKNUFND-UHFFFAOYSA-N
XLogP4.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran?
The IUPAC name of 2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran (CID 154524202) is 2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran.
What is the SMILES notation for 2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran?
The canonical SMILES for 2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran is CCCC1CCC(C2=COC(F)(F)CC2)CC1.
What is the InChIKey of 2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran?
The InChIKey is ZBDMEJMYKNUFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2O/c1-2-3-11-4-6-12(7-5-11)13-8-9-14(15,16)17-10-13/h10-12H,2-9H2,1H3.
What are the key properties of 2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran?
2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran has a molecular weight of 244.32 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-(4-propylcyclohexyl)-3,4-dihydropyran is sourced from PubChem (CID 154524202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).