1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine

C8H9F8N — CID 134531023

IUPAC1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine
SMILESC=C(C)C(F)(C(F)N(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F8N/c1-4(2)6(10,7(11,12)13)5(9)17(3)8(14,15)16/h5H,1H2,2-3H3
InChIKeyDNDLWOUEGSGUQS-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.58
Rot. Bonds3

About 1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine

1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine (PubChem CID 134531023) has the molecular formula C8H9F8N and a molecular weight of 271.15 g/mol. Its IUPAC name is 1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine.

Molecular Properties

Compound Name1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine
PubChem CID134531023
Molecular FormulaC8H9F8N
Molecular Weight271.15 g/mol
Exact Mass271.06
IUPAC Name1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine
SMILESC=C(C)C(F)(C(F)N(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H9F8N/c1-4(2)6(10,7(11,12)13)5(9)17(3)8(14,15)16/h5H,1H2,2-3H3
InChIKeyDNDLWOUEGSGUQS-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4,4-difluoro-N,3-dimethylbut-3-en-1-amine
CID 89242977
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 124118179
1,2-difluoro-3-methyl-N,N,2-tris(trifluoromethyl)but-3-en-1-amine
CID 124118217
1,2,2-trifluoro-3-methyl-N,N-bis(trifluoromethyl)but-3-en-1-amine
CID 124118226
1,2,2-trifluoro-N,3-dimethyl-N-(trifluoromethyl)but-3-en-1-amine
CID 134531029
1,2-difluoro-N,N,3-trimethyl-2-(trifluoromethyl)but-3-en-1-amine
CID 134531030
1,1,1,3,3-pentafluoro-N,4-dimethyl-N-(trifluoromethyl)pent-4-en-2-amine
CID 134531068
1,1,1,3,3-pentafluoro-N,N,4-trimethylpent-4-en-2-amine
CID 134531076
(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine
CID 156509220
N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
CID 166140934
1-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]pyrrolidine
CID 162620213
1,2-difluoroethane;N,3-dimethyl-N-propylbut-3-en-1-amine
CID 177053855

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine?
The IUPAC name of 1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine (CID 134531023) is 1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine.
What is the SMILES notation for 1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine?
The canonical SMILES for 1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine is C=C(C)C(F)(C(F)N(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine?
The InChIKey is DNDLWOUEGSGUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F8N/c1-4(2)6(10,7(11,12)13)5(9)17(3)8(14,15)16/h5H,1H2,2-3H3.
What are the key properties of 1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine?
1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine has a molecular weight of 271.15 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-N,3-dimethyl-N,2-bis(trifluoromethyl)but-3-en-1-amine is sourced from PubChem (CID 134531023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).