1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine

C11H14F2N2 — CID 65380173

IUPAC1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(CN)c1c(F)cccc1F
InChIInChI=1S/C11H14F2N2/c1-2-6-15-10(7-14)11-8(12)4-3-5-9(11)13/h2-5,10,15H,1,6-7,14H2
InChIKeyORGRDDDKVXYOCV-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.74
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine

1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 65380173) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine
PubChem CID65380173
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(CN)c1c(F)cccc1F
InChIInChI=1S/C11H14F2N2/c1-2-6-15-10(7-14)11-8(12)4-3-5-9(11)13/h2-5,10,15H,1,6-7,14H2
InChIKeyORGRDDDKVXYOCV-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65383239
5-[[2-amino-1-(2,6-difluorophenyl)ethyl]amino]pentan-1-ol
CID 107317087
1-(3-methylphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382812
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
1-(2,6-difluorophenyl)-N-ethylpent-4-en-1-amine
CID 79523146
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65383447
1-(2-chloro-6-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616201
(1R)-1-(2,6-difluorophenyl)but-3-en-1-ol
CID 101125248
3-[[2-amino-1-(2-chloro-6-fluorophenyl)ethyl]amino]propan-1-ol
CID 65377412
N-[1-(2,6-difluorophenyl)ethyl]but-3-en-1-amine
CID 115900114
[2-cycloheptyl-1-(2,6-difluorophenyl)ethyl]hydrazine
CID 105308040

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine (CID 65380173) is 1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine is C=CCNC(CN)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is ORGRDDDKVXYOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2/c1-2-6-15-10(7-14)11-8(12)4-3-5-9(11)13/h2-5,10,15H,1,6-7,14H2.
What are the key properties of 1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine?
1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 212.24 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 65380173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).