5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol

C7H9FO2 — CID 175549223

IUPAC5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1(F)C=CC=C(O)C1
InChIInChI=1S/C7H9FO2/c1-10-7(8)4-2-3-6(9)5-7/h2-4,9H,5H2,1H3
InChIKeyRQCURLXGMFKDCJ-UHFFFAOYSA-N
MW144.14 g/mol
LogP1.70
Rot. Bonds1

About 5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol

5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol (PubChem CID 175549223) has the molecular formula C7H9FO2 and a molecular weight of 144.14 g/mol. Its IUPAC name is 5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol
PubChem CID175549223
Molecular FormulaC7H9FO2
Molecular Weight144.14 g/mol
Exact Mass144.06
IUPAC Name5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol
SMILESCOC1(F)C=CC=C(O)C1
InChIInChI=1S/C7H9FO2/c1-10-7(8)4-2-3-6(9)5-7/h2-4,9H,5H2,1H3
InChIKeyRQCURLXGMFKDCJ-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol (CID 175549223) is 5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol is COC1(F)C=CC=C(O)C1.
What is the InChIKey of 5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol?
The InChIKey is RQCURLXGMFKDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO2/c1-10-7(8)4-2-3-6(9)5-7/h2-4,9H,5H2,1H3.
What are the key properties of 5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol?
5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol has a molecular weight of 144.14 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-5-methoxycyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 175549223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).