1-(1-fluoroethyl)imidazole-2-carbaldehyde

C6H7FN2O — CID 170565561

IUPAC1-(1-fluoroethyl)imidazole-2-carbaldehyde
SMILESCC(F)n1ccnc1C=O
InChIInChI=1S/C6H7FN2O/c1-5(7)9-3-2-8-6(9)4-10/h2-5H,1H3
InChIKeyJUKLWQPNSZDMAC-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.18
Rot. Bonds2

About 1-(1-fluoroethyl)imidazole-2-carbaldehyde

1-(1-fluoroethyl)imidazole-2-carbaldehyde (PubChem CID 170565561) has the molecular formula C6H7FN2O and a molecular weight of 142.13 g/mol. Its IUPAC name is 1-(1-fluoroethyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(1-fluoroethyl)imidazole-2-carbaldehyde
PubChem CID170565561
Molecular FormulaC6H7FN2O
Molecular Weight142.13 g/mol
Exact Mass142.05
IUPAC Name1-(1-fluoroethyl)imidazole-2-carbaldehyde
SMILESCC(F)n1ccnc1C=O
InChIInChI=1S/C6H7FN2O/c1-5(7)9-3-2-8-6(9)4-10/h2-5H,1H3
InChIKeyJUKLWQPNSZDMAC-UHFFFAOYSA-N
XLogP1.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-hydroxyethyl)imidazole-2-carbaldehyde
CID 166812072
1-(2-hydroxypropyl)imidazole-2-carbaldehyde
CID 55267444
1-bromoimidazole-2-carbaldehyde
CID 174800704
1-(difluoromethyl)-2-(3-methylbutyl)imidazole
CID 170928418
1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
CID 62223868
1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde
CID 62223686
1-(2-chloroethyl)imidazole-2-carbaldehyde
CID 55267738
2-[di(propan-2-yl)amino]-2-(2-methylimidazol-1-yl)acetaldehyde
CID 91233035
tert-butyl 2-formylimidazole-1-carboxylate
CID 23138513
2-(2-formylimidazol-1-yl)-N-methylacetamide
CID 62222272
(1E,4E,6E)-1,7-bis(1-pentan-2-ylimidazol-2-yl)hepta-1,4,6-trien-3-one
CID 127039884
2-bromo-1-(difluoromethyl)imidazole
CID 155822613

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)imidazole-2-carbaldehyde?
The IUPAC name of 1-(1-fluoroethyl)imidazole-2-carbaldehyde (CID 170565561) is 1-(1-fluoroethyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-(1-fluoroethyl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-(1-fluoroethyl)imidazole-2-carbaldehyde is CC(F)n1ccnc1C=O.
What is the InChIKey of 1-(1-fluoroethyl)imidazole-2-carbaldehyde?
The InChIKey is JUKLWQPNSZDMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O/c1-5(7)9-3-2-8-6(9)4-10/h2-5H,1H3.
What are the key properties of 1-(1-fluoroethyl)imidazole-2-carbaldehyde?
1-(1-fluoroethyl)imidazole-2-carbaldehyde has a molecular weight of 142.13 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 170565561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).