N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine

C8H15F2N — CID 166140934

IUPACN-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
SMILESC=C(C)CCN(C)CC(F)F
InChIInChI=1S/C8H15F2N/c1-7(2)4-5-11(3)6-8(9)10/h8H,1,4-6H2,2-3H3
InChIKeyDCQDXEKQLIYTGL-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.15
Rot. Bonds5

About N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine

N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine (PubChem CID 166140934) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
PubChem CID166140934
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
SMILESC=C(C)CCN(C)CC(F)F
InChIInChI=1S/C8H15F2N/c1-7(2)4-5-11(3)6-8(9)10/h8H,1,4-6H2,2-3H3
InChIKeyDCQDXEKQLIYTGL-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine (CID 166140934) is N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine is C=C(C)CCN(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine?
The InChIKey is DCQDXEKQLIYTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-7(2)4-5-11(3)6-8(9)10/h8H,1,4-6H2,2-3H3.
What are the key properties of N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine?
N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine is sourced from PubChem (CID 166140934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).