ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone

C10H15FO — CID 143443539

IUPACethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone
SMILESCC.CC(=O)C1=CC=C(F)CC1
InChIInChI=1S/C8H9FO.C2H6/c1-6(10)7-2-4-8(9)5-3-7;1-2/h2,4H,3,5H2,1H3;1-2H3
InChIKeyLBQPNEYOPICAAQ-UHFFFAOYSA-N
MW170.23 g/mol
LogP3.18
Rot. Bonds1

About ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone

ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone (PubChem CID 143443539) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone
PubChem CID143443539
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Nameethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone
SMILESCC.CC(=O)C1=CC=C(F)CC1
InChIInChI=1S/C8H9FO.C2H6/c1-6(10)7-2-4-8(9)5-3-7;1-2/h2,4H,3,5H2,1H3;1-2H3
InChIKeyLBQPNEYOPICAAQ-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone
CID 163869651
1-fluoro-4-[(Z)-pent-2-en-3-yl]cyclohexa-1,3-diene
CID 89331697
1-(6-acetylcyclohepta-1,3,5-trien-1-yl)ethanone
CID 11378812
1-cyclohexa-1,3-dien-1-ylethanone;N-methylmethanamine
CID 143915057
methyl 4-(4-acetylcyclohexa-1,3-dien-1-yl)cyclohepta-1,3-diene-1-carboxylate
CID 138657175
carbon monoxide;1-cyclohexa-1,3-dien-1-ylethanone;iron
CID 11043549
1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone
CID 91374956
bis(2,3,4,5,6-pentafluorophenyl) cyclohexa-1,3-diene-1,4-dicarboxylate
CID 11113846
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
N-[(1S)-1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]hydroxylamine
CID 121321269
methyl 4-fluorocyclohexa-1,3-diene-1-sulfonate
CID 139515781
1-(6-fluoro-2,3-dihydropyridin-4-yl)ethanone
CID 131999191

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone?
The IUPAC name of ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone (CID 143443539) is ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone.
What is the SMILES notation for ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone?
The canonical SMILES for ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone is CC.CC(=O)C1=CC=C(F)CC1.
What is the InChIKey of ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone?
The InChIKey is LBQPNEYOPICAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO.C2H6/c1-6(10)7-2-4-8(9)5-3-7;1-2/h2,4H,3,5H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone?
ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone has a molecular weight of 170.23 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone is sourced from PubChem (CID 143443539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).