N,N-diethyl-1,1-difluorobut-1-en-2-amine

C8H15F2N — CID 15306689

IUPACN,N-diethyl-1,1-difluorobut-1-en-2-amine
SMILESCCC(=C(F)F)N(CC)CC
InChIInChI=1S/C8H15F2N/c1-4-7(8(9)10)11(5-2)6-3/h4-6H2,1-3H3
InChIKeyCAYRSXCFXHCGHY-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.85
Rot. Bonds4

About N,N-diethyl-1,1-difluorobut-1-en-2-amine

N,N-diethyl-1,1-difluorobut-1-en-2-amine (PubChem CID 15306689) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N,N-diethyl-1,1-difluorobut-1-en-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1-difluorobut-1-en-2-amine
PubChem CID15306689
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN,N-diethyl-1,1-difluorobut-1-en-2-amine
SMILESCCC(=C(F)F)N(CC)CC
InChIInChI=1S/C8H15F2N/c1-4-7(8(9)10)11(5-2)6-3/h4-6H2,1-3H3
InChIKeyCAYRSXCFXHCGHY-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-difluorobut-1-en-2-amine?
The IUPAC name of N,N-diethyl-1,1-difluorobut-1-en-2-amine (CID 15306689) is N,N-diethyl-1,1-difluorobut-1-en-2-amine.
What is the SMILES notation for N,N-diethyl-1,1-difluorobut-1-en-2-amine?
The canonical SMILES for N,N-diethyl-1,1-difluorobut-1-en-2-amine is CCC(=C(F)F)N(CC)CC.
What is the InChIKey of N,N-diethyl-1,1-difluorobut-1-en-2-amine?
The InChIKey is CAYRSXCFXHCGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-4-7(8(9)10)11(5-2)6-3/h4-6H2,1-3H3.
What are the key properties of N,N-diethyl-1,1-difluorobut-1-en-2-amine?
N,N-diethyl-1,1-difluorobut-1-en-2-amine has a molecular weight of 163.21 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-difluorobut-1-en-2-amine is sourced from PubChem (CID 15306689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).