(E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine

C7H11F3N2 — CID 130282978

IUPAC(E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine
SMILESC/C(N)=C\N(C)/C=C/C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-6(11)5-12(2)4-3-7(8,9)10/h3-5H,11H2,1-2H3/b4-3+,6-5+
InChIKeyHFJTUBPSQKFRSN-VNKDHWASSA-N
MW180.17 g/mol
LogP1.81
Rot. Bonds2

About (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine

(E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine (PubChem CID 130282978) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine
PubChem CID130282978
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine
SMILESC/C(N)=C\N(C)/C=C/C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-6(11)5-12(2)4-3-7(8,9)10/h3-5H,11H2,1-2H3/b4-3+,6-5+
InChIKeyHFJTUBPSQKFRSN-VNKDHWASSA-N
XLogP1.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine with MolForge

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Related Compounds

(Z)-1-N-ethyl-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
CID 135265641
(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)-N'-(2,2-difluoroethyl)-N'-prop-1-en-2-ylethene-1,2-diamine
CID 156242067
(Z)-1-N-(fluoromethyl)-1-N-methylprop-1-ene-1,2-diamine
CID 167038690
(Z)-3,3,3-trifluoro-1-N-methyl-1-N-propan-2-ylprop-1-ene-1,2-diamine
CID 169952098
(Z)-3,3,3-trifluoro-2-N,2-N-dimethylprop-1-ene-1,2-diamine
CID 162607294
(Z)-1-N-ethenyl-1-N-methylprop-1-ene-1,2-diamine
CID 117617712
(Z)-1-N-ethenyl-1-N-ethylprop-1-ene-1,2-diamine
CID 126657421

Frequently Asked Questions

What is the IUPAC name of (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine?
The IUPAC name of (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine (CID 130282978) is (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine.
What is the SMILES notation for (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine?
The canonical SMILES for (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine is C/C(N)=C\N(C)/C=C/C(F)(F)F.
What is the InChIKey of (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine?
The InChIKey is HFJTUBPSQKFRSN-VNKDHWASSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-6(11)5-12(2)4-3-7(8,9)10/h3-5H,11H2,1-2H3/b4-3+,6-5+.
What are the key properties of (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine?
(E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine has a molecular weight of 180.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-methyl-1-N-[(E)-3,3,3-trifluoroprop-1-enyl]prop-1-ene-1,2-diamine is sourced from PubChem (CID 130282978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).