(1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde

C7H7FO — CID 129173671

IUPAC(1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde
SMILESO=C[C@H]1C=CC(F)=CC1
InChIInChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1,3-6H,2H2/t6-/m0/s1
InChIKeyXMANVSBHDCNVAE-LURJTMIESA-N
MW126.13 g/mol
LogP1.61
Rot. Bonds1

About (1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde

(1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 129173671) has the molecular formula C7H7FO and a molecular weight of 126.13 g/mol. Its IUPAC name is (1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name(1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde
PubChem CID129173671
Molecular FormulaC7H7FO
Molecular Weight126.13 g/mol
Exact Mass126.05
IUPAC Name(1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde
SMILESO=C[C@H]1C=CC(F)=CC1
InChIInChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1,3-6H,2H2/t6-/m0/s1
InChIKeyXMANVSBHDCNVAE-LURJTMIESA-N
XLogP1.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohepta-2,4,6-trienylacetaldehyde
CID 12474168
Dihydrobenzaldehyd
CID 12679825
Carbonyl-Benzaldehyd
CID 88729833
1,3-Difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 18407279
6-Fluoro-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde
CID 19995591
1-Fluorocyclohexa-2,4-diene-1-carbaldehyde
CID 21082201
1,4-Difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 23028752
2-Bromo-2-fluoro-benzaldehyde
CID 86615104
6-Fluoro-6-iodocyclohexa-2,4-diene-1-carbaldehyde
CID 87483986
4,5-Difluoro-6-methylidenecyclohexa-2,4-diene-1-carbaldehyde
CID 87537612
6-Bromo-5,6-difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 87549038
6-Bromo-2,6-difluorocyclohexa-2,4-diene-1-carbaldehyde
CID 88072272

Frequently Asked Questions

What is the IUPAC name of (1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of (1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde (CID 129173671) is (1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for (1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for (1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde is O=C[C@H]1C=CC(F)=CC1.
What is the InChIKey of (1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is XMANVSBHDCNVAE-LURJTMIESA-N. The full InChI is InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1,3-6H,2H2/t6-/m0/s1.
What are the key properties of (1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde?
(1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde has a molecular weight of 126.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-fluorocyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 129173671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).