5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene

C9H13FO — CID 123834177

IUPAC5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene
SMILESCCC1C=CC(OC)=CC1F
InChIInChI=1S/C9H13FO/c1-3-7-4-5-8(11-2)6-9(7)10/h4-7,9H,3H2,1-2H3
InChIKeyKEIKMXYVWSDZHF-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.45
Rot. Bonds2

About 5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene

5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene (PubChem CID 123834177) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene
PubChem CID123834177
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene
SMILESCCC1C=CC(OC)=CC1F
InChIInChI=1S/C9H13FO/c1-3-7-4-5-8(11-2)6-9(7)10/h4-7,9H,3H2,1-2H3
InChIKeyKEIKMXYVWSDZHF-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

i-Propyl-Oxin
CID 58503066
3-Methoxy-1,5-dimethyl-1,3-cyclohexadiene
CID 145335
1-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
1-Fluoro-2-methoxycyclohexa-1,3-diene
CID 22754812
3-Fluoro-2-methoxy-5-(2-methylpropyl)cyclohexa-1,3-diene
CID 59432808
1-Fluoro-3-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 67557004
1-Fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 67557170
1-Fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67557926
5-Methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 67967853
(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67991602
2-Ethoxy-1,3-difluoro-5-methylcyclohexa-1,3-diene
CID 68261097
2-Ethoxy-3-fluoro-5-methylcyclohexa-1,3-diene
CID 68261098

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene?
The IUPAC name of 5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene (CID 123834177) is 5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene?
The canonical SMILES for 5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene is CCC1C=CC(OC)=CC1F.
What is the InChIKey of 5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene?
The InChIKey is KEIKMXYVWSDZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-3-7-4-5-8(11-2)6-9(7)10/h4-7,9H,3H2,1-2H3.
What are the key properties of 5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene?
5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene has a molecular weight of 156.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoro-2-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 123834177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).