1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine

C5H10F2N2 — CID 88529859

IUPAC1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine
SMILESC=C(N)CNCC(F)F
InChIInChI=1S/C5H10F2N2/c1-4(8)2-9-3-5(6)7/h5,9H,1-3,8H2
InChIKeyAFNZJSJEECVNLU-UHFFFAOYSA-N
MW136.14 g/mol
LogP0.31
Rot. Bonds4

About 1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine

1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine (PubChem CID 88529859) has the molecular formula C5H10F2N2 and a molecular weight of 136.14 g/mol. Its IUPAC name is 1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine
PubChem CID88529859
Molecular FormulaC5H10F2N2
Molecular Weight136.14 g/mol
Exact Mass136.08
IUPAC Name1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine
SMILESC=C(N)CNCC(F)F
InChIInChI=1S/C5H10F2N2/c1-4(8)2-9-3-5(6)7/h5,9H,1-3,8H2
InChIKeyAFNZJSJEECVNLU-UHFFFAOYSA-N
XLogP0.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine?
The IUPAC name of 1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine (CID 88529859) is 1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine is C=C(N)CNCC(F)F.
What is the InChIKey of 1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine?
The InChIKey is AFNZJSJEECVNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c1-4(8)2-9-3-5(6)7/h5,9H,1-3,8H2.
What are the key properties of 1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine?
1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine has a molecular weight of 136.14 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 88529859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).