2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran

C16H24F2O — CID 154524208

IUPAC2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran
SMILESCCCC1CCC(/C=C/C2=COC(F)(F)CC2)CC1
InChIInChI=1S/C16H24F2O/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-11-16(17,18)19-12-15/h8-9,12-14H,2-7,10-11H2,1H3/b9-8+
InChIKeyDCTGFYYBMFPJKH-CMDGGOBGSA-N
MW270.36 g/mol
LogP5.44
Rot. Bonds4

About 2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran

2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran (PubChem CID 154524208) has the molecular formula C16H24F2O and a molecular weight of 270.36 g/mol. Its IUPAC name is 2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran.

Molecular Properties

Compound Name2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran
PubChem CID154524208
Molecular FormulaC16H24F2O
Molecular Weight270.36 g/mol
Exact Mass270.18
IUPAC Name2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran
SMILESCCCC1CCC(/C=C/C2=COC(F)(F)CC2)CC1
InChIInChI=1S/C16H24F2O/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-11-16(17,18)19-12-15/h8-9,12-14H,2-7,10-11H2,1H3/b9-8+
InChIKeyDCTGFYYBMFPJKH-CMDGGOBGSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.36
LogP ≤ 55.44
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-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran?
The IUPAC name of 2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran (CID 154524208) is 2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran.
What is the SMILES notation for 2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran?
The canonical SMILES for 2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran is CCCC1CCC(/C=C/C2=COC(F)(F)CC2)CC1.
What is the InChIKey of 2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran?
The InChIKey is DCTGFYYBMFPJKH-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H24F2O/c1-2-3-13-4-6-14(7-5-13)8-9-15-10-11-16(17,18)19-12-15/h8-9,12-14H,2-7,10-11H2,1H3/b9-8+.
What are the key properties of 2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran?
2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran has a molecular weight of 270.36 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-[(E)-2-(4-propylcyclohexyl)ethenyl]-3,4-dihydropyran is sourced from PubChem (CID 154524208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).