1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone

C11H13FO2 — CID 143570388

IUPAC1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone
SMILESC=CCOC1C=C(F)C=CC1C(C)=O
InChIInChI=1S/C11H13FO2/c1-3-6-14-11-7-9(12)4-5-10(11)8(2)13/h3-5,7,10-11H,1,6H2,2H3
InChIKeyXOQLRPXNUFPNAH-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.19
Rot. Bonds4

About 1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone

1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 143570388) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone
PubChem CID143570388
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone
SMILESC=CCOC1C=C(F)C=CC1C(C)=O
InChIInChI=1S/C11H13FO2/c1-3-6-14-11-7-9(12)4-5-10(11)8(2)13/h3-5,7,10-11H,1,6H2,2H3
InChIKeyXOQLRPXNUFPNAH-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Fluoro-6-methoxycyclohexa-2,4-diene-1-carbaldehyde
CID 87141474
6-Fluoro-6-propoxycyclohexa-2,4-diene-1-carbaldehyde
CID 153911207
6-Butoxy-2,6-difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 155286489
6-Fluoro-2,3,4a,8a-tetrahydrochromen-4-one
CID 166953522
2-Acetyl-2-methylphenyl acetate
CID 129854913
2-Methyl-4a,8a-dihydrochromen-4-one
CID 57887952
1-(6,6-Dimethoxycyclohexa-2,4-dien-1-yl)ethanone
CID 66823211
1-(6,6-Diethoxycyclohexa-2,4-dien-1-yl)ethanone
CID 66893156
5a,9a-dihydro-2H-1-benzoxepin-5-one
CID 67010108
1-(6-Methoxycyclohexa-2,4-dien-1-yl)ethanone
CID 117790216
2,6-Dimethyl-4a,8a-dihydrochromen-4-one
CID 132047880
1-(6,6-Dibutoxycyclohexa-2,4-dien-1-yl)ethanone
CID 139973216

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone (CID 143570388) is 1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone is C=CCOC1C=C(F)C=CC1C(C)=O.
What is the InChIKey of 1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is XOQLRPXNUFPNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-3-6-14-11-7-9(12)4-5-10(11)8(2)13/h3-5,7,10-11H,1,6H2,2H3.
What are the key properties of 1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone?
1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 196.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-6-prop-2-enoxycyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 143570388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).