(E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine

C5H11FN2 — CID 139367318

IUPAC(E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine
SMILESC/C=C(\N)NCCF
InChIInChI=1S/C5H11FN2/c1-2-5(7)8-4-3-6/h2,8H,3-4,7H2,1H3/b5-2+
InChIKeyWIORRROBLRRNOZ-GORDUTHDSA-N
MW118.15 g/mol
LogP0.37
Rot. Bonds3

About (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine

(E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine (PubChem CID 139367318) has the molecular formula C5H11FN2 and a molecular weight of 118.15 g/mol. Its IUPAC name is (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine
PubChem CID139367318
Molecular FormulaC5H11FN2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC Name(E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine
SMILESC/C=C(\N)NCCF
InChIInChI=1S/C5H11FN2/c1-2-5(7)8-4-3-6/h2,8H,3-4,7H2,1H3/b5-2+
InChIKeyWIORRROBLRRNOZ-GORDUTHDSA-N
XLogP0.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-N'-dodecylprop-1-ene-1,1-diamine
CID 87082536
(2R)-2-amino-N-(2-fluoroethyl)propanamide
CID 90216538
2-amino-N-(2-fluoroethyl)-2-methylpropanamide
CID 130504084
methyl N-(2-fluoroethyl)carbamate
CID 14512865
N-(2-fluoroethyl)propanethioamide
CID 175723324
N-(2-fluoroethyl)-2-hydroxypropanamide
CID 130657561
[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium
CID 140645046
N'-[(Z)-but-2-en-2-yl]ethane-1,2-diamine
CID 55288959
1-amino-3-(2-fluoroethyl)-2-propylguanidine
CID 130505160
(E)-4-(2-fluoroethylamino)-4-oxobut-2-enoic acid
CID 130160499
N-(2-fluoroethyl)-2-methyl-2-(methylamino)propanamide
CID 130504047
(Z)-3-amino-2-(2-aminoethylamino)but-2-enal
CID 134517746

Frequently Asked Questions

What is the IUPAC name of (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine?
The IUPAC name of (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine (CID 139367318) is (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine.
What is the SMILES notation for (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine?
The canonical SMILES for (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine is C/C=C(\N)NCCF.
What is the InChIKey of (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine?
The InChIKey is WIORRROBLRRNOZ-GORDUTHDSA-N. The full InChI is InChI=1S/C5H11FN2/c1-2-5(7)8-4-3-6/h2,8H,3-4,7H2,1H3/b5-2+.
What are the key properties of (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine?
(E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine has a molecular weight of 118.15 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine is sourced from PubChem (CID 139367318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).