1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one

C16H24F2O2 — CID 153389563

IUPAC1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one
SMILESCCCC1=CC(OC(F)F)=CC(C(C)C)C1CC(C)=O
InChIInChI=1S/C16H24F2O2/c1-5-6-12-8-13(20-16(17)18)9-14(10(2)3)15(12)7-11(4)19/h8-10,14-16H,5-7H2,1-4H3
InChIKeyYDVFUDDDQIHSFM-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.72
Rot. Bonds7

About 1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one

1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one (PubChem CID 153389563) has the molecular formula C16H24F2O2 and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one
PubChem CID153389563
Molecular FormulaC16H24F2O2
Molecular Weight286.36 g/mol
Exact Mass286.17
IUPAC Name1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one
SMILESCCCC1=CC(OC(F)F)=CC(C(C)C)C1CC(C)=O
InChIInChI=1S/C16H24F2O2/c1-5-6-12-8-13(20-16(17)18)9-14(10(2)3)15(12)7-11(4)19/h8-10,14-16H,5-7H2,1-4H3
InChIKeyYDVFUDDDQIHSFM-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one?
The IUPAC name of 1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one (CID 153389563) is 1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one?
The canonical SMILES for 1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one is CCCC1=CC(OC(F)F)=CC(C(C)C)C1CC(C)=O.
What is the InChIKey of 1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one?
The InChIKey is YDVFUDDDQIHSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O2/c1-5-6-12-8-13(20-16(17)18)9-14(10(2)3)15(12)7-11(4)19/h8-10,14-16H,5-7H2,1-4H3.
What are the key properties of 1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one?
1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one has a molecular weight of 286.36 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one is sourced from PubChem (CID 153389563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).