(Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine

C8H16F2N2 — CID 167150007

IUPAC(Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine
SMILESCCC/C(=C/N)C(NC)C(F)F
InChIInChI=1S/C8H16F2N2/c1-3-4-6(5-11)7(12-2)8(9)10/h5,7-8,12H,3-4,11H2,1-2H3/b6-5-
InChIKeyUSCAVFNKKONEQN-WAYWQWQTSA-N
MW178.23 g/mol
LogP1.48
Rot. Bonds5

About (Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine

(Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine (PubChem CID 167150007) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine
PubChem CID167150007
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name(Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine
SMILESCCC/C(=C/N)C(NC)C(F)F
InChIInChI=1S/C8H16F2N2/c1-3-4-6(5-11)7(12-2)8(9)10/h5,7-8,12H,3-4,11H2,1-2H3/b6-5-
InChIKeyUSCAVFNKKONEQN-WAYWQWQTSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine?
The IUPAC name of (Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine (CID 167150007) is (Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine?
The canonical SMILES for (Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine is CCC/C(=C/N)C(NC)C(F)F.
What is the InChIKey of (Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine?
The InChIKey is USCAVFNKKONEQN-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-3-4-6(5-11)7(12-2)8(9)10/h5,7-8,12H,3-4,11H2,1-2H3/b6-5-.
What are the key properties of (Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine?
(Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine has a molecular weight of 178.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-difluoro-3-N-methyl-2-propylbut-1-ene-1,3-diamine is sourced from PubChem (CID 167150007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).