N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine

C7H15FN2 — CID 153367845

IUPACN-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine
SMILESC=C(C)NCCNCCF
InChIInChI=1S/C7H15FN2/c1-7(2)10-6-5-9-4-3-8/h9-10H,1,3-6H2,2H3
InChIKeyFDNFEPNRFAUYNT-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.67
Rot. Bonds6

About N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine

N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine (PubChem CID 153367845) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine
PubChem CID153367845
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC NameN-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine
SMILESC=C(C)NCCNCCF
InChIInChI=1S/C7H15FN2/c1-7(2)10-6-5-9-4-3-8/h9-10H,1,3-6H2,2H3
InChIKeyFDNFEPNRFAUYNT-UHFFFAOYSA-N
XLogP0.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethylprop-1-en-2-amine
CID 11170914
4-methyl-6-(trifluoromethyl)-2,3-dihydro-1H-pyrazine
CID 68888872
1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine
CID 88529859
1-N-(fluoromethyl)prop-2-ene-1,2-diamine
CID 89441578
(Z)-2-fluoro-N-prop-1-en-2-ylprop-1-en-1-amine
CID 131999490
N-(2,2,2-trifluoroethyl)prop-1-en-2-amine
CID 134356739
4-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazine
CID 137504418
N-(2-fluoroethyl)prop-1-en-2-amine
CID 143207230
N'-(3-fluoro-3-methylbut-1-en-2-yl)ethane-1,2-diamine
CID 143723954
N-(2,2-difluoroethyl)prop-1-en-2-amine
CID 146616968
2-N-(2,2,2-trifluoroethyl)prop-2-ene-1,2-diamine
CID 148295755
(Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine
CID 155330138

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine (CID 153367845) is N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine is C=C(C)NCCNCCF.
What is the InChIKey of N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine?
The InChIKey is FDNFEPNRFAUYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-7(2)10-6-5-9-4-3-8/h9-10H,1,3-6H2,2H3.
What are the key properties of N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine?
N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine has a molecular weight of 146.21 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N'-prop-1-en-2-ylethane-1,2-diamine is sourced from PubChem (CID 153367845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).