N,N-diethyl-3,3-difluorobut-1-en-2-amine

C8H15F2N — CID 123864048

IUPACN,N-diethyl-3,3-difluorobut-1-en-2-amine
SMILESC=C(N(CC)CC)C(C)(F)F
InChIInChI=1S/C8H15F2N/c1-5-11(6-2)7(3)8(4,9)10/h3,5-6H2,1-2,4H3
InChIKeyABFXDXOPWZKULY-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.50
Rot. Bonds4

About N,N-diethyl-3,3-difluorobut-1-en-2-amine

N,N-diethyl-3,3-difluorobut-1-en-2-amine (PubChem CID 123864048) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N,N-diethyl-3,3-difluorobut-1-en-2-amine.

Molecular Properties

Compound NameN,N-diethyl-3,3-difluorobut-1-en-2-amine
PubChem CID123864048
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN,N-diethyl-3,3-difluorobut-1-en-2-amine
SMILESC=C(N(CC)CC)C(C)(F)F
InChIInChI=1S/C8H15F2N/c1-5-11(6-2)7(3)8(4,9)10/h3,5-6H2,1-2,4H3
InChIKeyABFXDXOPWZKULY-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,3-difluorobut-1-en-2-amine?
The IUPAC name of N,N-diethyl-3,3-difluorobut-1-en-2-amine (CID 123864048) is N,N-diethyl-3,3-difluorobut-1-en-2-amine.
What is the SMILES notation for N,N-diethyl-3,3-difluorobut-1-en-2-amine?
The canonical SMILES for N,N-diethyl-3,3-difluorobut-1-en-2-amine is C=C(N(CC)CC)C(C)(F)F.
What is the InChIKey of N,N-diethyl-3,3-difluorobut-1-en-2-amine?
The InChIKey is ABFXDXOPWZKULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-5-11(6-2)7(3)8(4,9)10/h3,5-6H2,1-2,4H3.
What are the key properties of N,N-diethyl-3,3-difluorobut-1-en-2-amine?
N,N-diethyl-3,3-difluorobut-1-en-2-amine has a molecular weight of 163.21 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,3-difluorobut-1-en-2-amine is sourced from PubChem (CID 123864048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).