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

C15H22F2O2 — CID 153389689

IUPAC1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one
SMILESCCC1C=C(OC(F)F)C=C(C(C)C)C1CC(C)=O
InChIInChI=1S/C15H22F2O2/c1-5-11-7-12(19-15(16)17)8-13(9(2)3)14(11)6-10(4)18/h7-9,11,14-15H,5-6H2,1-4H3
InChIKeyOXWMUNAJXFEQQA-UHFFFAOYSA-N
MW272.33 g/mol
LogP4.33
Rot. Bonds6

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

1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one (PubChem CID 153389689) has the molecular formula C15H22F2O2 and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one
PubChem CID153389689
Molecular FormulaC15H22F2O2
Molecular Weight272.33 g/mol
Exact Mass272.16
IUPAC Name1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one
SMILESCCC1C=C(OC(F)F)C=C(C(C)C)C1CC(C)=O
InChIInChI=1S/C15H22F2O2/c1-5-11-7-12(19-15(16)17)8-13(9(2)3)14(11)6-10(4)18/h7-9,11,14-15H,5-6H2,1-4H3
InChIKeyOXWMUNAJXFEQQA-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one with MolForge

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Related Compounds

4-(4-Ethoxy-2,3-difluorocyclohexa-2,4-dien-1-yl)cyclohex-3-en-1-one
CID 68165708
1-(5,6-Difluoro-4-methoxycyclohexa-2,4-dien-1-yl)propan-1-one
CID 70905304
2,2,2-trifluoro-1-(7-methoxy-2,3,4,9-tetrahydro-1H-benzo[7]annulen-2-yl)ethanone
CID 91099019
(11E)-12-fluoro-5,6,9-trimethyl-10-methylidene-13-(trifluoromethoxy)tetradeca-11,13-dien-2-one
CID 141854058
(7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one
CID 142284492
6-Cyclopentyl-3-(difluoromethoxy)cyclohexa-2,4-dien-1-one
CID 174528761
6-Butyl-3-(difluoromethoxy)cyclohexa-2,4-dien-1-one
CID 174528790
1-[4-(Difluoromethoxy)-6-propan-2-yl-2-propylcyclohexa-2,4-dien-1-yl]propan-2-one
CID 153389563
2-[4-(Difluoromethoxy)-2,6-dipropylcyclohexa-2,4-dien-1-yl]acetaldehyde
CID 153389602
Cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
CID 57138830
3-[(3E,5Z)-4-methoxy-3,5-dimethyl-2-methylidenehepta-3,5-dienyl]pentane-2,4-dione
CID 130181446
4-(4-Methoxycyclohexa-2,4-dien-1-yl)butan-2-one
CID 11834165

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one?
The IUPAC name of 1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one (CID 153389689) is 1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one?
The canonical SMILES for 1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one is CCC1C=C(OC(F)F)C=C(C(C)C)C1CC(C)=O.
What is the InChIKey of 1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one?
The InChIKey is OXWMUNAJXFEQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O2/c1-5-11-7-12(19-15(16)17)8-13(9(2)3)14(11)6-10(4)18/h7-9,11,14-15H,5-6H2,1-4H3.
What are the key properties of 1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one?
1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one has a molecular weight of 272.33 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-6-ethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl]propan-2-one is sourced from PubChem (CID 153389689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).