6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C7H9F2N5 — CID 130008702

IUPAC6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(N)nc(C(F)F)n1
InChIInChI=1S/C7H9F2N5/c1-2-3-11-7-13-5(4(8)9)12-6(10)14-7/h2,4H,1,3H2,(H3,10,11,12,13,14)
InChIKeyMEOAIIBBIREACW-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.99
Rot. Bonds4

About 6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 130008702) has the molecular formula C7H9F2N5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID130008702
Molecular FormulaC7H9F2N5
Molecular Weight201.18 g/mol
Exact Mass201.08
IUPAC Name6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(N)nc(C(F)F)n1
InChIInChI=1S/C7H9F2N5/c1-2-3-11-7-13-5(4(8)9)12-6(10)14-7/h2,4H,1,3H2,(H3,10,11,12,13,14)
InChIKeyMEOAIIBBIREACW-UHFFFAOYSA-N
XLogP0.99
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-6-methyl-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 657559
2-Difluoromethyl-4-amino-6-ethylamino-s-triazine
CID 129787532
1,3,5-Triazine, 2-allylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 550109
N-prop-2-enyl-4-(trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006219
4-[chloro(difluoro)methoxy]-N-prop-2-enyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006227
4,6-difluoro-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 70598290
2-N-(2,2-difluoroethyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 126979201
2-N-(3,3-difluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 130722292
6-methyl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 33384
N-Ethyl-N'-(2-propenyl)-6-methyl-1,3,5-triazine-2,4-diamine
CID 33821
4-chloro-6-ethyl-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 20321387
2-N,6-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 22605178

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 130008702) is 6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(N)nc(C(F)F)n1.
What is the InChIKey of 6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MEOAIIBBIREACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N5/c1-2-3-11-7-13-5(4(8)9)12-6(10)14-7/h2,4H,1,3H2,(H3,10,11,12,13,14).
What are the key properties of 6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 201.18 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130008702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).