(Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine

C7H13F3N2 — CID 143707877

IUPAC(Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine
SMILESCNC(C)/C=C\NCC(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-6(11-2)3-4-12-5-7(8,9)10/h3-4,6,11-12H,5H2,1-2H3/b4-3-
InChIKeyFWWKBHHPCSKOOC-ARJAWSKDSA-N
MW182.19 g/mol
LogP1.26
Rot. Bonds4

About (Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine

(Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine (PubChem CID 143707877) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine
PubChem CID143707877
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine
SMILESCNC(C)/C=C\NCC(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-6(11-2)3-4-12-5-7(8,9)10/h3-4,6,11-12H,5H2,1-2H3/b4-3-
InChIKeyFWWKBHHPCSKOOC-ARJAWSKDSA-N
XLogP1.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine?
The IUPAC name of (Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine (CID 143707877) is (Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine?
The canonical SMILES for (Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine is CNC(C)/C=C\NCC(F)(F)F.
What is the InChIKey of (Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine?
The InChIKey is FWWKBHHPCSKOOC-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-6(11-2)3-4-12-5-7(8,9)10/h3-4,6,11-12H,5H2,1-2H3/b4-3-.
What are the key properties of (Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine?
(Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine has a molecular weight of 182.19 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-methyl-1-N-(2,2,2-trifluoroethyl)but-1-ene-1,3-diamine is sourced from PubChem (CID 143707877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).