2-fluoro-3-methoxycyclohexa-1,3-diene

C7H9FO — CID 143818758

IUPAC2-fluoro-3-methoxycyclohexa-1,3-diene
SMILESCOC1=CCCC=C1F
InChIInChI=1S/C7H9FO/c1-9-7-5-3-2-4-6(7)8/h4-5H,2-3H2,1H3
InChIKeyZAAGUYCPCQBYGU-UHFFFAOYSA-N
MW128.15 g/mol
LogP2.16
Rot. Bonds1

About 2-fluoro-3-methoxycyclohexa-1,3-diene

2-fluoro-3-methoxycyclohexa-1,3-diene (PubChem CID 143818758) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-fluoro-3-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-3-methoxycyclohexa-1,3-diene
PubChem CID143818758
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name2-fluoro-3-methoxycyclohexa-1,3-diene
SMILESCOC1=CCCC=C1F
InChIInChI=1S/C7H9FO/c1-9-7-5-3-2-4-6(7)8/h4-5H,2-3H2,1H3
InChIKeyZAAGUYCPCQBYGU-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methoxy-1,3-cyclohexadiene
CID 141599
Carbanide;1,3-difluoro-4-methoxy-2-methylbenzene-6-ide;uranium(2+)
CID 163674837
2-(Difluoromethoxy)cyclohexa-1,3-diene
CID 18363256
5-Fluoro-5-methoxycyclohexa-1,3-diene
CID 18445624
2-Methoxy-3-(trifluoromethyl)cyclohexa-1,3-diene
CID 21615684
1-Fluoro-2-methoxycyclohexa-1,3-diene
CID 22754812
1,6-Difluoro-6-methoxycyclohexa-1,3-diene
CID 66729669
1-Fluoro-2-methoxy-6-methylcyclohexa-1,3-diene
CID 67557170
1-Fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67557926
(5S)-2-fluoro-3-methoxy-5-methylcyclohexa-1,3-diene
CID 67991602
3,5-Difluoro-2-methoxycyclohexa-1,3-diene
CID 68217336
2-Ethoxy-3-fluoro-5-methylcyclohexa-1,3-diene
CID 68261098

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxycyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-3-methoxycyclohexa-1,3-diene (CID 143818758) is 2-fluoro-3-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-3-methoxycyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-3-methoxycyclohexa-1,3-diene is COC1=CCCC=C1F.
What is the InChIKey of 2-fluoro-3-methoxycyclohexa-1,3-diene?
The InChIKey is ZAAGUYCPCQBYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-9-7-5-3-2-4-6(7)8/h4-5H,2-3H2,1H3.
What are the key properties of 2-fluoro-3-methoxycyclohexa-1,3-diene?
2-fluoro-3-methoxycyclohexa-1,3-diene has a molecular weight of 128.15 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 143818758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).