1,5-difluoro-2-methoxycyclohexa-1,3-diene

C7H8F2O — CID 138465178

IUPAC1,5-difluoro-2-methoxycyclohexa-1,3-diene
SMILESCOC1=C(F)CC(F)C=C1
InChIInChI=1S/C7H8F2O/c1-10-7-3-2-5(8)4-6(7)9/h2-3,5H,4H2,1H3
InChIKeyMTLLWTRGZNTRBK-UHFFFAOYSA-N
MW146.14 g/mol
LogP2.11
Rot. Bonds1

About 1,5-difluoro-2-methoxycyclohexa-1,3-diene

1,5-difluoro-2-methoxycyclohexa-1,3-diene (PubChem CID 138465178) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is 1,5-difluoro-2-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-difluoro-2-methoxycyclohexa-1,3-diene
PubChem CID138465178
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name1,5-difluoro-2-methoxycyclohexa-1,3-diene
SMILESCOC1=C(F)CC(F)C=C1
InChIInChI=1S/C7H8F2O/c1-10-7-3-2-5(8)4-6(7)9/h2-3,5H,4H2,1H3
InChIKeyMTLLWTRGZNTRBK-UHFFFAOYSA-N
XLogP2.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,5-difluoro-2-methoxycyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-1,3-cyclohexadiene
CID 141599
2-[(1E,3E)-4-ethoxyhexa-1,3,5-trienyl]-1,5,6-trifluorocyclohexa-1,3-diene
CID 144087360
2-Methoxycyclopenta-1,3-diene
CID 12619120
Dimethoxycyclohexadiene
CID 14358150
2-Methyl-2H-pyran
CID 18757414
(r)-2-Methylpyran
CID 154339592
2-(Difluoromethoxy)cyclohexa-1,3-diene
CID 18363256
2-(1,1,2,2-Tetrafluoroethoxy)cyclohexa-1,3-diene
CID 18427019
1,3,5-Trifluoro-5-methoxycyclohexa-1,3-diene
CID 18439594
5-Fluoro-5-methoxycyclohexa-1,3-diene
CID 18445624
2-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 18614397
2-(1,2,2-Trifluoroethenoxy)cyclohexa-1,3-diene
CID 18990478

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-2-methoxycyclohexa-1,3-diene?
The IUPAC name of 1,5-difluoro-2-methoxycyclohexa-1,3-diene (CID 138465178) is 1,5-difluoro-2-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1,5-difluoro-2-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1,5-difluoro-2-methoxycyclohexa-1,3-diene is COC1=C(F)CC(F)C=C1.
What is the InChIKey of 1,5-difluoro-2-methoxycyclohexa-1,3-diene?
The InChIKey is MTLLWTRGZNTRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c1-10-7-3-2-5(8)4-6(7)9/h2-3,5H,4H2,1H3.
What are the key properties of 1,5-difluoro-2-methoxycyclohexa-1,3-diene?
1,5-difluoro-2-methoxycyclohexa-1,3-diene has a molecular weight of 146.14 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-2-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 138465178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).