1-fluoro-5-methoxycyclohexa-1,3-diene

C7H9FO — CID 22482457

IUPAC1-fluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1C=CC=C(F)C1
InChIInChI=1S/C7H9FO/c1-9-7-4-2-3-6(8)5-7/h2-4,7H,5H2,1H3
InChIKeyWDWXYGZLOLZLKQ-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.81
Rot. Bonds1

About 1-fluoro-5-methoxycyclohexa-1,3-diene

1-fluoro-5-methoxycyclohexa-1,3-diene (PubChem CID 22482457) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 1-fluoro-5-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-5-methoxycyclohexa-1,3-diene
PubChem CID22482457
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name1-fluoro-5-methoxycyclohexa-1,3-diene
SMILESCOC1C=CC=C(F)C1
InChIInChI=1S/C7H9FO/c1-9-7-4-2-3-6(8)5-7/h2-4,7H,5H2,1H3
InChIKeyWDWXYGZLOLZLKQ-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methoxy-2-prop-1-enylcyclohexa-1,3-diene
CID 20975449
(5R)-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 155788491
6-Methyl-3,6-dihydro-2H-pyran
CID 521593
2-Ethyl-5,6-dihydro-2h-pyran
CID 12536731
2H-Pyran, 3,6-dihydro-2-methyl-
CID 12292645
5-Methoxycyclohexa-1,3-diene
CID 12611538
2-Methyl-2H-pyran
CID 18757414
2,6-Dimethyl-3,6-dihydropyran
CID 20035294
(r)-2-Methylpyran
CID 154339592
1,3,5-Trifluoro-5-methoxycyclohexa-1,3-diene
CID 18439594
5-Fluoro-5-methoxycyclohexa-1,3-diene
CID 18445624
5-(Trifluoromethoxy)cyclohexa-1,3-diene
CID 18457037

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methoxycyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-5-methoxycyclohexa-1,3-diene (CID 22482457) is 1-fluoro-5-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-5-methoxycyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-5-methoxycyclohexa-1,3-diene is COC1C=CC=C(F)C1.
What is the InChIKey of 1-fluoro-5-methoxycyclohexa-1,3-diene?
The InChIKey is WDWXYGZLOLZLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-9-7-4-2-3-6(8)5-7/h2-4,7H,5H2,1H3.
What are the key properties of 1-fluoro-5-methoxycyclohexa-1,3-diene?
1-fluoro-5-methoxycyclohexa-1,3-diene has a molecular weight of 128.15 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 22482457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).