N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine

C8H16F2N2 — CID 165462284

IUPACN'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine
SMILESC=CCN(CC)CC(F)(F)CN
InChIInChI=1S/C8H16F2N2/c1-3-5-12(4-2)7-8(9,10)6-11/h3H,1,4-7,11H2,2H3
InChIKeyFXYYSFZHQYLGKQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.09
Rot. Bonds6

About N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine

N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine (PubChem CID 165462284) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine
PubChem CID165462284
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC NameN'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine
SMILESC=CCN(CC)CC(F)(F)CN
InChIInChI=1S/C8H16F2N2/c1-3-5-12(4-2)7-8(9,10)6-11/h3H,1,4-7,11H2,2H3
InChIKeyFXYYSFZHQYLGKQ-UHFFFAOYSA-N
XLogP1.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-2,2-difluoropropane-1,3-diamine
CID 84652406
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
N,N'-diethyl-N,N'-bis(prop-2-enyl)methanediamine
CID 21275121
N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 140552329
N'-(aminomethyl)-N'-prop-2-enylmethanediamine
CID 170275951
ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
CID 78977809
3-chloro-N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 174389413
N'-prop-2-enyl-N'-propylethane-1,2-diamine
CID 54159625
2,2-difluoro-N'-methyl-N'-propylpropane-1,3-diamine
CID 165462267
2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine
CID 43830446
N-(2-fluoroethyl)-N-prop-2-enylprop-2-en-1-amine
CID 130701613
N-prop-2-enyl-N-propylpropan-1-amine
CID 527008

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine (CID 165462284) is N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine is C=CCN(CC)CC(F)(F)CN.
What is the InChIKey of N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine?
The InChIKey is FXYYSFZHQYLGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-3-5-12(4-2)7-8(9,10)6-11/h3H,1,4-7,11H2,2H3.
What are the key properties of N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine?
N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine has a molecular weight of 178.23 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine is sourced from PubChem (CID 165462284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).