(Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine

C7H12F4N2 — CID 154953447

IUPAC(Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine
SMILESCN/C(=C\NC(C)CF)C(F)(F)F
InChIInChI=1S/C7H12F4N2/c1-5(3-8)13-4-6(12-2)7(9,10)11/h4-5,12-13H,3H2,1-2H3/b6-4-
InChIKeyHZDHLTHLZWLHSV-XQRVVYSFSA-N
MW200.18 g/mol
LogP1.56
Rot. Bonds4

About (Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine

(Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine (PubChem CID 154953447) has the molecular formula C7H12F4N2 and a molecular weight of 200.18 g/mol. Its IUPAC name is (Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine
PubChem CID154953447
Molecular FormulaC7H12F4N2
Molecular Weight200.18 g/mol
Exact Mass200.09
IUPAC Name(Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine
SMILESCN/C(=C\NC(C)CF)C(F)(F)F
InChIInChI=1S/C7H12F4N2/c1-5(3-8)13-4-6(12-2)7(9,10)11/h4-5,12-13H,3H2,1-2H3/b6-4-
InChIKeyHZDHLTHLZWLHSV-XQRVVYSFSA-N
XLogP1.56
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine?
The IUPAC name of (Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine (CID 154953447) is (Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine is CN/C(=C\NC(C)CF)C(F)(F)F.
What is the InChIKey of (Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine?
The InChIKey is HZDHLTHLZWLHSV-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H12F4N2/c1-5(3-8)13-4-6(12-2)7(9,10)11/h4-5,12-13H,3H2,1-2H3/b6-4-.
What are the key properties of (Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine?
(Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine has a molecular weight of 200.18 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3,3-trifluoro-1-N-(1-fluoropropan-2-yl)-2-N-methylprop-1-ene-1,2-diamine is sourced from PubChem (CID 154953447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).