5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine

C13H20F2N2 — CID 162561406

IUPAC5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine
SMILESC=CC(F)(F)C1C=C(N(C)C)C=C(N(C)C)C1
InChIInChI=1S/C13H20F2N2/c1-6-13(14,15)10-7-11(16(2)3)9-12(8-10)17(4)5/h6-7,9-10H,1,8H2,2-5H3
InChIKeyPAZPTMPZGRADFB-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.72
Rot. Bonds4

About 5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine

5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine (PubChem CID 162561406) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine
PubChem CID162561406
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine
SMILESC=CC(F)(F)C1C=C(N(C)C)C=C(N(C)C)C1
InChIInChI=1S/C13H20F2N2/c1-6-13(14,15)10-7-11(16(2)3)9-12(8-10)17(4)5/h6-7,9-10H,1,8H2,2-5H3
InChIKeyPAZPTMPZGRADFB-UHFFFAOYSA-N
XLogP2.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine (CID 162561406) is 5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine is C=CC(F)(F)C1C=C(N(C)C)C=C(N(C)C)C1.
What is the InChIKey of 5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine?
The InChIKey is PAZPTMPZGRADFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-6-13(14,15)10-7-11(16(2)3)9-12(8-10)17(4)5/h6-7,9-10H,1,8H2,2-5H3.
What are the key properties of 5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine?
5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine has a molecular weight of 242.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroprop-2-enyl)-1-N,1-N,3-N,3-N-tetramethylcyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 162561406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).