4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine

C6H5Cl2FN4 — CID 88719283

IUPAC4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CC(F)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H5Cl2FN4/c1-2-3(9)10-6-12-4(7)11-5(8)13-6/h2-3H,1H2,(H,10,11,12,13)
InChIKeyBNUJEGOCMIYESL-UHFFFAOYSA-N
MW223.04 g/mol
LogP2.07
Rot. Bonds3

About 4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine (PubChem CID 88719283) has the molecular formula C6H5Cl2FN4 and a molecular weight of 223.04 g/mol. Its IUPAC name is 4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine
PubChem CID88719283
Molecular FormulaC6H5Cl2FN4
Molecular Weight223.04 g/mol
Exact Mass221.99
IUPAC Name4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CC(F)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H5Cl2FN4/c1-2-3(9)10-6-12-4(7)11-5(8)13-6/h2-3H,1H2,(H,10,11,12,13)
InChIKeyBNUJEGOCMIYESL-UHFFFAOYSA-N
XLogP2.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
N-Allyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35294
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
2,4,6-Triallylamino-sym-triazine
CID 35080
4-chloro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006210
4-chloro-6-[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 19006215
4-[chloro(difluoro)methoxy]-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 19006223
4-fluoro-N-prop-2-enyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006230
4,6-bis[chloro(difluoro)methoxy]-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 57283139
4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 70598290
4,6-dichloro-N-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 88719282
4-chloro-6-fluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 141655646

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine (CID 88719283) is 4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine is C=CC(F)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine?
The InChIKey is BNUJEGOCMIYESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2FN4/c1-2-3(9)10-6-12-4(7)11-5(8)13-6/h2-3H,1H2,(H,10,11,12,13).
What are the key properties of 4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine has a molecular weight of 223.04 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(1-fluoroprop-2-enyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 88719283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).