3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine

C7H11F5N2 — CID 134200014

IUPAC3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine
SMILESC=C(NCC(F)(F)F)C(F)(F)CCN
InChIInChI=1S/C7H11F5N2/c1-5(6(8,9)2-3-13)14-4-7(10,11)12/h14H,1-4,13H2
InChIKeyQGEZJXOUGWQANE-UHFFFAOYSA-N
MW218.17 g/mol
LogP1.64
Rot. Bonds5

About 3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine

3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine (PubChem CID 134200014) has the molecular formula C7H11F5N2 and a molecular weight of 218.17 g/mol. Its IUPAC name is 3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine.

Molecular Properties

Compound Name3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine
PubChem CID134200014
Molecular FormulaC7H11F5N2
Molecular Weight218.17 g/mol
Exact Mass218.08
IUPAC Name3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine
SMILESC=C(NCC(F)(F)F)C(F)(F)CCN
InChIInChI=1S/C7H11F5N2/c1-5(6(8,9)2-3-13)14-4-7(10,11)12/h14H,1-4,13H2
InChIKeyQGEZJXOUGWQANE-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine?
The IUPAC name of 3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine (CID 134200014) is 3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine.
What is the SMILES notation for 3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine?
The canonical SMILES for 3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine is C=C(NCC(F)(F)F)C(F)(F)CCN.
What is the InChIKey of 3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine?
The InChIKey is QGEZJXOUGWQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2/c1-5(6(8,9)2-3-13)14-4-7(10,11)12/h14H,1-4,13H2.
What are the key properties of 3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine?
3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine has a molecular weight of 218.17 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine is sourced from PubChem (CID 134200014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).