5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene

C9H13FO — CID 123170743

IUPAC5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene
SMILESCOC(C)C1=CCC(F)C=C1
InChIInChI=1S/C9H13FO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-5,7,9H,6H2,1-2H3
InChIKeyJBQLCIILSZIZEJ-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.25
Rot. Bonds2

About 5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene

5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene (PubChem CID 123170743) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene
PubChem CID123170743
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene
SMILESCOC(C)C1=CCC(F)C=C1
InChIInChI=1S/C9H13FO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-5,7,9H,6H2,1-2H3
InChIKeyJBQLCIILSZIZEJ-UHFFFAOYSA-N
XLogP2.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzene, dihydro-4-allyl-1,2-dimethoxy-
CID 3053286
5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
(5R,6S)-5,6-dimethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134889152
5-Methoxycyclohexa-1,3-diene
CID 12611538
Lithium methoxymethylbenzene
CID 22382344
5-Fluoro-5-methoxycyclohexa-1,3-diene
CID 18445624
5-Fluoro-5,6-dimethoxycyclohexa-1,3-diene
CID 19777442
5-Ethenyl-2-fluoro-5-methoxycyclohexa-1,3-diene
CID 19872219
1-Fluoro-5-methoxycyclohexa-1,3-diene
CID 22482457
1,6-Difluoro-6-methoxycyclohexa-1,3-diene
CID 66729669
5-(Bromomethyl)-5-fluoro-6-methoxycyclohexa-1,3-diene
CID 66974940
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene (CID 123170743) is 5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene is COC(C)C1=CCC(F)C=C1.
What is the InChIKey of 5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene?
The InChIKey is JBQLCIILSZIZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-7(11-2)8-3-5-9(10)6-4-8/h3-5,7,9H,6H2,1-2H3.
What are the key properties of 5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene?
5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene has a molecular weight of 156.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 123170743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).