2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine

C4ClF8N — CID 86175552

IUPAC2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine
SMILESFC(Cl)=C(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4ClF8N/c5-1(6)2(7)14(3(8,9)10)4(11,12)13
InChIKeyYUJFPUUKGJJAMV-UHFFFAOYSA-N
MW249.49 g/mol
LogP3.63
Rot. Bonds1

About 2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine

2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine (PubChem CID 86175552) has the molecular formula C4ClF8N and a molecular weight of 249.49 g/mol. Its IUPAC name is 2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine.

Molecular Properties

Compound Name2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine
PubChem CID86175552
Molecular FormulaC4ClF8N
Molecular Weight249.49 g/mol
Exact Mass248.96
IUPAC Name2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine
SMILESFC(Cl)=C(F)N(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4ClF8N/c5-1(6)2(7)14(3(8,9)10)4(11,12)13
InChIKeyYUJFPUUKGJJAMV-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine?
The IUPAC name of 2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine (CID 86175552) is 2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine.
What is the SMILES notation for 2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine?
The canonical SMILES for 2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine is FC(Cl)=C(F)N(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine?
The InChIKey is YUJFPUUKGJJAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF8N/c5-1(6)2(7)14(3(8,9)10)4(11,12)13.
What are the key properties of 2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine?
2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine has a molecular weight of 249.49 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,2-difluoro-N,N-bis(trifluoromethyl)ethenamine is sourced from PubChem (CID 86175552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).