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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1,2-dichloro-1,2-difluoroethene
CID 2736814
CID 14849495
CID 14849495
1-chloro-1,2,2-trifluoroethene
CID 141146844
(Z)-1,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)-N,N-bis(trifluoromethyl)prop-1-en-1-amine
CID 118663163
1,2,4-trichloro-1,1,3,4,4-pentafluorobut-2-ene
CID 54297906
bis(trifluoromethyl)carbamothioic S-acid
CID 87741122
1-chloro-1,2,2-trifluoroethene;1,2-dichloro-1,2-difluoroethene
CID 157281148
1-chloro-1,2,2-trifluoroethene;silane
CID 159523303
N,N'-ditert-butyl-N-(trifluoromethyl)carbamimidoyl fluoride
CID 12699878
1-chloro-1,2,3,3,4,5,5-heptafluoropent-1-ene
CID 146624735
2-chloro-1,1,1,3-tetrafluorobut-2-ene
CID 53395469
1-[(Z)-2-chloro-1,2-difluoroethenyl]-4-(trifluoromethoxy)benzene
CID 59133252

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).