(4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol

C13H12FNO — CID 91927647

IUPAC(4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol
SMILESOC1=CC/C(=C/N=C2C=CC(F)C=C2)C=C1
InChIInChI=1S/C13H12FNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1,3-9,11,16H,2H2/b10-9+,15-12-
InChIKeyGHUQAHWTGLYTOQ-ADCBRGLKSA-N
MW217.24 g/mol
LogP3.18
Rot. Bonds1

About (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol

(4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol (PubChem CID 91927647) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name(4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol
PubChem CID91927647
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name(4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol
SMILESOC1=CC/C(=C/N=C2C=CC(F)C=C2)C=C1
InChIInChI=1S/C13H12FNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1,3-9,11,16H,2H2/b10-9+,15-12-
InChIKeyGHUQAHWTGLYTOQ-ADCBRGLKSA-N
XLogP3.18
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol with MolForge

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Related Compounds

10-Azatricyclo[7.3.1.02,7]trideca-1,3,5,7,9,11-hexaen-4-ol
CID 22065877
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CID 126733806
(3Z,4Z)-4-(chloromethylimino)-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-ol
CID 143712358
2,3-Dihydroquinolin-5-ol
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2,3-Dihydroquinolin-7-ol
CID 151879715
4H-quinolin-4-id-7-ol;tungsten
CID 155694724
1-Benzazocin-3-ol
CID 177734640
(2Z,4Z,6Z)-1-benzazocin-8-ol
CID 23638151
(2Z,4Z,6Z)-1-benzazocin-9-ol
CID 136336110
Benzazocin-9-ol hydrochloride
CID 137224652
(3Z)-5-methylidene-6-[(Z)-prop-1-enyl]iminohepta-1,3-dien-2-ol
CID 144379458

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol?
The IUPAC name of (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol (CID 91927647) is (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol is OC1=CC/C(=C/N=C2C=CC(F)C=C2)C=C1.
What is the InChIKey of (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol?
The InChIKey is GHUQAHWTGLYTOQ-ADCBRGLKSA-N. The full InChI is InChI=1S/C13H12FNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1,3-9,11,16H,2H2/b10-9+,15-12-.
What are the key properties of (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol?
(4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol has a molecular weight of 217.24 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[(4-fluorocyclohexa-2,5-dien-1-ylidene)amino]methylidene]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 91927647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).