1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine

C6H9F4N — CID 129207809

IUPAC1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(C(F)N(C)C)C(F)(F)F
InChIInChI=1S/C6H9F4N/c1-4(6(8,9)10)5(7)11(2)3/h5H,1H2,2-3H3
InChIKeyLBUQVQNCTNJTRN-UHFFFAOYSA-N
MW171.14 g/mol
LogP1.96
Rot. Bonds2

About 1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine

1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine (PubChem CID 129207809) has the molecular formula C6H9F4N and a molecular weight of 171.14 g/mol. Its IUPAC name is 1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
PubChem CID129207809
Molecular FormulaC6H9F4N
Molecular Weight171.14 g/mol
Exact Mass171.07
IUPAC Name1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(C(F)N(C)C)C(F)(F)F
InChIInChI=1S/C6H9F4N/c1-4(6(8,9)10)5(7)11(2)3/h5H,1H2,2-3H3
InChIKeyLBUQVQNCTNJTRN-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 51.96
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-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of 1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine (CID 129207809) is 1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for 1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for 1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine is C=C(C(F)N(C)C)C(F)(F)F.
What is the InChIKey of 1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is LBUQVQNCTNJTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4N/c1-4(6(8,9)10)5(7)11(2)3/h5H,1H2,2-3H3.
What are the key properties of 1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine?
1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 171.14 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 129207809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).