(Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine

C7H13F3N2 — CID 170033104

IUPAC(Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine
SMILESCN/C=C(/C)C(NC)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(4-11-2)6(12-3)7(8,9)10/h4,6,11-12H,1-3H3/b5-4-
InChIKeyFAOOOLGTPGDPQR-PLNGDYQASA-N
MW182.19 g/mol
LogP1.26
Rot. Bonds3

About (Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine

(Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine (PubChem CID 170033104) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine
PubChem CID170033104
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name(Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine
SMILESCN/C=C(/C)C(NC)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(4-11-2)6(12-3)7(8,9)10/h4,6,11-12H,1-3H3/b5-4-
InChIKeyFAOOOLGTPGDPQR-PLNGDYQASA-N
XLogP1.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine?
The IUPAC name of (Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine (CID 170033104) is (Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine?
The canonical SMILES for (Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine is CN/C=C(/C)C(NC)C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine?
The InChIKey is FAOOOLGTPGDPQR-PLNGDYQASA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5(4-11-2)6(12-3)7(8,9)10/h4,6,11-12H,1-3H3/b5-4-.
What are the key properties of (Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine?
(Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine has a molecular weight of 182.19 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-1-N,3-N,2-trimethylbut-1-ene-1,3-diamine is sourced from PubChem (CID 170033104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).