(Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine

C5H11FN2 — CID 167038690

IUPAC(Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine
SMILESC/C(N)=C/N(C)CF
InChIInChI=1S/C5H11FN2/c1-5(7)3-8(2)4-6/h3H,4,7H2,1-2H3/b5-3-
InChIKeyJDUVCEVPTOEDAB-HYXAFXHYSA-N
MW118.16 g/mol
LogP0.67
Rot. Bonds2

About (Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine

(Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine (PubChem CID 167038690) has the molecular formula C5H11FN2 and a molecular weight of 118.16 g/mol. Its IUPAC name is (Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine
PubChem CID167038690
Molecular FormulaC5H11FN2
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name(Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine
SMILESC/C(N)=C/N(C)CF
InChIInChI=1S/C5H11FN2/c1-5(7)3-8(2)4-6/h3H,4,7H2,1-2H3/b5-3-
InChIKeyJDUVCEVPTOEDAB-HYXAFXHYSA-N
XLogP0.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine
CID 130282978
(Z)-2-fluoro-N-prop-1-en-2-ylprop-1-en-1-amine
CID 131999490
(Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
CID 135265641
(Z)-2-diazenyl-N-(2-fluoroethyl)-N-methylprop-1-en-1-amine
CID 143952189
(Z)-3,3-difluoro-2-N-methylprop-1-ene-1,2-diamine
CID 145303680
(Z)-3,3,3-trifluoro-1-N,1-N-dimethylprop-1-ene-1,2-diamine
CID 145429871
(Z)-1-[amino(fluoromethyl)amino]prop-1-en-2-amine
CID 155330072
(Z)-1-N-(3-fluoropropyl)prop-1-ene-1,2-diamine
CID 155330138
(Z)-3-fluoro-1-N,1-N,2-N-trimethylprop-1-ene-1,2-diamine
CID 156037531
(E)-1-fluoro-N-prop-1-en-2-ylethene-1,2-diamine
CID 156242063
(Z)-2-fluoro-N-methyl-N-prop-1-en-2-ylprop-1-en-1-amine
CID 163483687
(Z)-1-[amino(2-fluoroethyl)amino]prop-1-en-2-amine
CID 167115798

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine (CID 167038690) is (Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine is C/C(N)=C/N(C)CF.
What is the InChIKey of (Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine?
The InChIKey is JDUVCEVPTOEDAB-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H11FN2/c1-5(7)3-8(2)4-6/h3H,4,7H2,1-2H3/b5-3-.
What are the key properties of (Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine?
(Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine has a molecular weight of 118.16 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 167038690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).