2-fluorocyclohexa-2,4-diene-1-carbaldehyde

C7H7FO — CID 143944641

IUPAC2-fluorocyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1CC=CC=C1F
InChIInChI=1S/C7H7FO/c8-7-4-2-1-3-6(7)5-9/h1-2,4-6H,3H2
InChIKeyDGPREUMZBLXEEO-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.61
Rot. Bonds1

About 2-fluorocyclohexa-2,4-diene-1-carbaldehyde

2-fluorocyclohexa-2,4-diene-1-carbaldehyde (PubChem CID 143944641) has the molecular formula C7H7FO and a molecular weight of 126.13 g/mol. Its IUPAC name is 2-fluorocyclohexa-2,4-diene-1-carbaldehyde.

Molecular Properties

Compound Name2-fluorocyclohexa-2,4-diene-1-carbaldehyde
PubChem CID143944641
Molecular FormulaC7H7FO
Molecular Weight126.13 g/mol
Exact Mass126.05
IUPAC Name2-fluorocyclohexa-2,4-diene-1-carbaldehyde
SMILESO=CC1CC=CC=C1F
InChIInChI=1S/C7H7FO/c8-7-4-2-1-3-6(7)5-9/h1-2,4-6H,3H2
InChIKeyDGPREUMZBLXEEO-UHFFFAOYSA-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

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2-(3,4,4a,5-tetrahydro-2H-quinolin-1-ylmethylidene)propanedioic acid
CID 67900144
7,7a-dihydro-1-benzothiophene-3-carbaldehyde
CID 163944141
(3E,5Z)-6-amino-4-(2-fluorocyclohexa-2,4-dien-1-yl)hexa-3,5-dienenitrile
CID 143963134
2a,3,7,7a,8,8a-hexahydrocyclobuta[b]naphthalene
CID 173279246
2-amino-3-methyl-3,4-dihydroazocine-8-carbaldehyde
CID 123830192
2-(6-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-2,4-dien-1-ol
CID 123397571
7,7a-dihydro-1,2-benzothiazol-3-one
CID 89335895
1,8,8a,9a-tetrahydroanthracene-9,10-dione
CID 25051791
cyclohepta-1,3,5-triene-1,3-dicarbaldehyde
CID 142377844
N-[cyclohexa-2,4-dien-1-yl-(2-fluorophenyl)phosphanyl]-N-[(2-fluorocyclohexa-2,4-dien-1-yl)-(2-fluorophenyl)phosphanyl]propan-2-amine
CID 88874792

Frequently Asked Questions

What is the IUPAC name of 2-fluorocyclohexa-2,4-diene-1-carbaldehyde?
The IUPAC name of 2-fluorocyclohexa-2,4-diene-1-carbaldehyde (CID 143944641) is 2-fluorocyclohexa-2,4-diene-1-carbaldehyde.
What is the SMILES notation for 2-fluorocyclohexa-2,4-diene-1-carbaldehyde?
The canonical SMILES for 2-fluorocyclohexa-2,4-diene-1-carbaldehyde is O=CC1CC=CC=C1F.
What is the InChIKey of 2-fluorocyclohexa-2,4-diene-1-carbaldehyde?
The InChIKey is DGPREUMZBLXEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO/c8-7-4-2-1-3-6(7)5-9/h1-2,4-6H,3H2.
What are the key properties of 2-fluorocyclohexa-2,4-diene-1-carbaldehyde?
2-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 2-fluorocyclohexa-2,4-diene-1-carbaldehyde is sourced from PubChem (CID 143944641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).