2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde

C7H10FN3O — CID 122634178

IUPAC2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde
SMILESO=CCn1cc(CCCF)nn1
InChIInChI=1S/C7H10FN3O/c8-3-1-2-7-6-11(4-5-12)10-9-7/h5-6H,1-4H2
InChIKeyRDTGDRSFONNDHI-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.38
Rot. Bonds5

About 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde

2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde (PubChem CID 122634178) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde
PubChem CID122634178
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC Name2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde
SMILESO=CCn1cc(CCCF)nn1
InChIInChI=1S/C7H10FN3O/c8-3-1-2-7-6-11(4-5-12)10-9-7/h5-6H,1-4H2
InChIKeyRDTGDRSFONNDHI-UHFFFAOYSA-N
XLogP0.38
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-(4-propyltriazol-1-yl)acetate
CID 71590833
2-[4-(3-Fluoropropyl)triazol-1-yl]acetic acid
CID 59247844
1-[4-(3-Fluoropropyl)triazol-1-yl]butan-2-one
CID 59247921
1-[4-(3-Fluoropropyl)triazol-1-yl]propan-2-one
CID 59247933
1-Ethyl-4-(3-fluoropropyl)triazole
CID 68256604
2-[4-(3-Fluoropropyl)triazol-1-yl]acetamide
CID 70304467
4-(3-Fluoropropyl)-1-methyltriazole
CID 117906317
3-[1-(2-Fluoroethyl)triazol-4-yl]propanal
CID 118200400
4-(3-Fluoropropyl)-1-propyltriazole
CID 153601077
2-(4-Propyltriazol-1-yl)ethyl sulfite
CID 139211395
3-(4-Propyltriazol-1-yl)propyl sulfite
CID 139211405
1-(4-Propyltriazol-1-yl)propan-2-one
CID 57669097

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde?
The IUPAC name of 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde (CID 122634178) is 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde?
The canonical SMILES for 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde is O=CCn1cc(CCCF)nn1.
What is the InChIKey of 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde?
The InChIKey is RDTGDRSFONNDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c8-3-1-2-7-6-11(4-5-12)10-9-7/h5-6H,1-4H2.
What are the key properties of 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde?
2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde has a molecular weight of 171.17 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropyl)triazol-1-yl]acetaldehyde is sourced from PubChem (CID 122634178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).