(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol

C11H12FNO — CID 118258283

IUPAC(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol
SMILESC/C=C\C=C1\C(F)=CC=C(O)\C1=N/C
InChIInChI=1S/C11H12FNO/c1-3-4-5-8-9(12)6-7-10(14)11(8)13-2/h3-7,14H,1-2H3/b4-3-,8-5-,13-11-
InChIKeyHHYKJMVDFFBFTP-CVCKEOOGSA-N
MW193.22 g/mol
LogP2.87
Rot. Bonds1

About (5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol

(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol (PubChem CID 118258283) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol
PubChem CID118258283
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol
SMILESC/C=C\C=C1\C(F)=CC=C(O)\C1=N/C
InChIInChI=1S/C11H12FNO/c1-3-4-5-8-9(12)6-7-10(14)11(8)13-2/h3-7,14H,1-2H3/b4-3-,8-5-,13-11-
InChIKeyHHYKJMVDFFBFTP-CVCKEOOGSA-N
XLogP2.87
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 90079309
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CID 90079310
CID 90079310
CID 117656519
CID 117656519
CID 117685697
CID 117685697
CID 118258282
CID 118258282
CID 132135412
CID 132135412
CID 139608537
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CID 142102440
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CID 143158824
CID 143158824

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol (CID 118258283) is (5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol is C/C=C\C=C1\C(F)=CC=C(O)\C1=N/C.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol?
The InChIKey is HHYKJMVDFFBFTP-CVCKEOOGSA-N. The full InChI is InChI=1S/C11H12FNO/c1-3-4-5-8-9(12)6-7-10(14)11(8)13-2/h3-7,14H,1-2H3/b4-3-,8-5-,13-11-.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol?
(5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol has a molecular weight of 193.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-but-2-enylidene]-4-fluoro-6-methyliminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 118258283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).