5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol

C7H7FO — CID 123419715

IUPAC5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1C(O)=CC=CC1F
InChIInChI=1S/C7H7FO/c1-5-6(8)3-2-4-7(5)9/h2-4,6,9H,1H2
InChIKeyKSYGXIBMEWADJL-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.89
Rot. Bonds

About 5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol

5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol (PubChem CID 123419715) has the molecular formula C7H7FO and a molecular weight of 126.13 g/mol. Its IUPAC name is 5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol
PubChem CID123419715
Molecular FormulaC7H7FO
Molecular Weight126.13 g/mol
Exact Mass126.05
IUPAC Name5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol
SMILESC=C1C(O)=CC=CC1F
InChIInChI=1S/C7H7FO/c1-5-6(8)3-2-4-7(5)9/h2-4,6,9H,1H2
InChIKeyKSYGXIBMEWADJL-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-benzo[7]annulene-1,5-diol
CID 146382501
8a,9-dihydroacridine-4,5-diol
CID 163428129
2,6-difluorocyclohexa-2,4-dien-1-ol
CID 173042954
(5-fluorocyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 176541891
ethene;5-methylcyclohepta-1,3,6-trien-1-ol
CID 144507325
5-ethylcyclohexa-1,3-dien-1-ol
CID 154505680
N',4-dihydroxy-6-methyl-5-methylidenecyclohexa-1,3-diene-1-carboximidamide
CID 174553009
1-(5-methoxy-6-methylidenecyclohexa-1,3-dien-1-yl)ethanone
CID 173316011
4-fluorocyclohexa-1,5-dien-1-ol
CID 118312270
2-hydroxycyclopenta-2,4-diene-1-carboxylic acid
CID 174889379
7-fluoro-3-methylcyclohepta-1,3,5-triene
CID 126632943
5-propylcyclohexa-1,3-dien-1-ol
CID 142071341

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol?
The IUPAC name of 5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol (CID 123419715) is 5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol?
The canonical SMILES for 5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol is C=C1C(O)=CC=CC1F.
What is the InChIKey of 5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol?
The InChIKey is KSYGXIBMEWADJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO/c1-5-6(8)3-2-4-7(5)9/h2-4,6,9H,1H2.
What are the key properties of 5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol?
5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol has a molecular weight of 126.13 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methylidenecyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 123419715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).