(E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine

C6H11F2N — CID 123750010

IUPAC(E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine
SMILESC/C=C/N(C)CC(F)F
InChIInChI=1S/C6H11F2N/c1-3-4-9(2)5-6(7)8/h3-4,6H,5H2,1-2H3/b4-3+
InChIKeyRXSZFWZNCRRPPW-ONEGZZNKSA-N
MW135.16 g/mol
LogP1.72
Rot. Bonds3

About (E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine

(E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine (PubChem CID 123750010) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is (E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine
PubChem CID123750010
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name(E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine
SMILESC/C=C/N(C)CC(F)F
InChIInChI=1S/C6H11F2N/c1-3-4-9(2)5-6(7)8/h3-4,6H,5H2,1-2H3/b4-3+
InChIKeyRXSZFWZNCRRPPW-ONEGZZNKSA-N
XLogP1.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine?
The IUPAC name of (E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine (CID 123750010) is (E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine.
What is the SMILES notation for (E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine?
The canonical SMILES for (E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine is C/C=C/N(C)CC(F)F.
What is the InChIKey of (E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine?
The InChIKey is RXSZFWZNCRRPPW-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H11F2N/c1-3-4-9(2)5-6(7)8/h3-4,6H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine?
(E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine has a molecular weight of 135.16 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine is sourced from PubChem (CID 123750010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).