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

C7H10F5N — CID 134531036

IUPAC1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine
SMILESC=CC(F)(C(F)N(C)C)C(F)(F)F
InChIInChI=1S/C7H10F5N/c1-4-6(9,7(10,11)12)5(8)13(2)3/h4-5H,1H2,2-3H3
InChIKeyHLAGBWRGARKWSC-UHFFFAOYSA-N
MW203.15 g/mol
LogP2.30
Rot. Bonds3

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

1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine (PubChem CID 134531036) has the molecular formula C7H10F5N and a molecular weight of 203.15 g/mol. Its IUPAC name is 1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine.

Molecular Properties

Compound Name1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine
PubChem CID134531036
Molecular FormulaC7H10F5N
Molecular Weight203.15 g/mol
Exact Mass203.07
IUPAC Name1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine
SMILESC=CC(F)(C(F)N(C)C)C(F)(F)F
InChIInChI=1S/C7H10F5N/c1-4-6(9,7(10,11)12)5(8)13(2)3/h4-5H,1H2,2-3H3
InChIKeyHLAGBWRGARKWSC-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine?
The IUPAC name of 1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine (CID 134531036) is 1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine.
What is the SMILES notation for 1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine?
The canonical SMILES for 1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine is C=CC(F)(C(F)N(C)C)C(F)(F)F.
What is the InChIKey of 1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine?
The InChIKey is HLAGBWRGARKWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F5N/c1-4-6(9,7(10,11)12)5(8)13(2)3/h4-5H,1H2,2-3H3.
What are the key properties of 1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine?
1,2-difluoro-N,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine has a molecular weight of 203.15 g/mol, XLogP of 2.30, 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,N-dimethyl-2-(trifluoromethyl)but-3-en-1-amine is sourced from PubChem (CID 134531036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).