N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine

C4H5F4N — CID 146426207

IUPACN,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine
SMILESC=C(F)C(F)(F)N(C)F
InChIInChI=1S/C4H5F4N/c1-3(5)4(6,7)9(2)8/h1H2,2H3
InChIKeyAEKPCICHOWUKEO-UHFFFAOYSA-N
MW143.08 g/mol
LogP1.88
Rot. Bonds2

About N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine

N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine (PubChem CID 146426207) has the molecular formula C4H5F4N and a molecular weight of 143.08 g/mol. Its IUPAC name is N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine
PubChem CID146426207
Molecular FormulaC4H5F4N
Molecular Weight143.08 g/mol
Exact Mass143.04
IUPAC NameN,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine
SMILESC=C(F)C(F)(F)N(C)F
InChIInChI=1S/C4H5F4N/c1-3(5)4(6,7)9(2)8/h1H2,2H3
InChIKeyAEKPCICHOWUKEO-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.08
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine?
The IUPAC name of N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine (CID 146426207) is N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine.
What is the SMILES notation for N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine?
The canonical SMILES for N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine is C=C(F)C(F)(F)N(C)F.
What is the InChIKey of N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine?
The InChIKey is AEKPCICHOWUKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4N/c1-3(5)4(6,7)9(2)8/h1H2,2H3.
What are the key properties of N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine?
N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine has a molecular weight of 143.08 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine is sourced from PubChem (CID 146426207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).