(E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine

C4H9FN2 — CID 146392684

IUPAC(E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine
SMILESCNC/C=C(\N)F
InChIInChI=1S/C4H9FN2/c1-7-3-2-4(5)6/h2,7H,3,6H2,1H3/b4-2-
InChIKeyRWQRYFWPHWIYSQ-RQOWECAXSA-N
MW104.13 g/mol
LogP-0.02
Rot. Bonds2

About (E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine

(E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine (PubChem CID 146392684) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is (E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine
PubChem CID146392684
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name(E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine
SMILESCNC/C=C(\N)F
InChIInChI=1S/C4H9FN2/c1-7-3-2-4(5)6/h2,7H,3,6H2,1H3/b4-2-
InChIKeyRWQRYFWPHWIYSQ-RQOWECAXSA-N
XLogP-0.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-ethyl-2-fluoroprop-1-ene-1,3-diamine
CID 118973109
(1E)-N-ethyl-1-fluorobuta-1,3-dien-1-amine
CID 134581899
(E)-1-N'-(2-fluoroethyl)prop-1-ene-1,1-diamine
CID 139367318
(E)-1-fluoro-N-[(Z)-prop-1-enyl]but-2-en-1-amine
CID 142089117
N-(1-fluoroethenyl)prop-2-en-1-amine
CID 144136696
(E)-N-ethyl-1-fluoroprop-1-en-1-amine
CID 147840406
1-fluoro-N-methylprop-1-en-1-amine
CID 173845773
(E)-N-methylprop-1-ene-1,3-diamine
CID 18986481
(E)-N,N'-dimethylprop-1-ene-1,3-diamine
CID 18986482
N'-methylprop-1-ene-1,3-diamine
CID 85451650
(E)-N-ethylprop-1-ene-1,3-diamine
CID 87221928
3-N-methylprop-1-ene-1,1,3-triamine
CID 87835594

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine?
The IUPAC name of (E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine (CID 146392684) is (E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine?
The canonical SMILES for (E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine is CNC/C=C(\N)F.
What is the InChIKey of (E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine?
The InChIKey is RWQRYFWPHWIYSQ-RQOWECAXSA-N. The full InChI is InChI=1S/C4H9FN2/c1-7-3-2-4(5)6/h2,7H,3,6H2,1H3/b4-2-.
What are the key properties of (E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine?
(E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine has a molecular weight of 104.13 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoro-N'-methylprop-1-ene-1,3-diamine is sourced from PubChem (CID 146392684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).