(E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine

C8H12F2N4 — CID 153028499

IUPAC(E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine
SMILESC/C(=C\N)c1ncnn1CC(C)(F)F
InChIInChI=1S/C8H12F2N4/c1-6(3-11)7-12-5-13-14(7)4-8(2,9)10/h3,5H,4,11H2,1-2H3/b6-3+
InChIKeyVDIOTOLBJDNDCN-ZZXKWVIFSA-N
MW202.21 g/mol
LogP1.25
Rot. Bonds3

About (E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine

(E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine (PubChem CID 153028499) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is (E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine
PubChem CID153028499
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name(E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine
SMILESC/C(=C\N)c1ncnn1CC(C)(F)F
InChIInChI=1S/C8H12F2N4/c1-6(3-11)7-12-5-13-14(7)4-8(2,9)10/h3,5H,4,11H2,1-2H3/b6-3+
InChIKeyVDIOTOLBJDNDCN-ZZXKWVIFSA-N
XLogP1.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine?
The IUPAC name of (E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine (CID 153028499) is (E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine.
What is the SMILES notation for (E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine?
The canonical SMILES for (E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine is C/C(=C\N)c1ncnn1CC(C)(F)F.
What is the InChIKey of (E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine?
The InChIKey is VDIOTOLBJDNDCN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H12F2N4/c1-6(3-11)7-12-5-13-14(7)4-8(2,9)10/h3,5H,4,11H2,1-2H3/b6-3+.
What are the key properties of (E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine?
(E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine has a molecular weight of 202.21 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[2-(2,2-difluoropropyl)-1,2,4-triazol-3-yl]prop-1-en-1-amine is sourced from PubChem (CID 153028499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).