1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine

C5H6F5N — CID 134534166

IUPAC1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine
SMILESCC(=C(F)F)N(C)C(F)(F)F
InChIInChI=1S/C5H6F5N/c1-3(4(6)7)11(2)5(8,9)10/h1-2H3
InChIKeyKAAFBIOCTIIMPT-UHFFFAOYSA-N
MW175.10 g/mol
LogP2.57
Rot. Bonds1

About 1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine

1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine (PubChem CID 134534166) has the molecular formula C5H6F5N and a molecular weight of 175.10 g/mol. Its IUPAC name is 1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine
PubChem CID134534166
Molecular FormulaC5H6F5N
Molecular Weight175.10 g/mol
Exact Mass175.04
IUPAC Name1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine
SMILESCC(=C(F)F)N(C)C(F)(F)F
InChIInChI=1S/C5H6F5N/c1-3(4(6)7)11(2)5(8,9)10/h1-2H3
InChIKeyKAAFBIOCTIIMPT-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 52.57
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 1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine?
The IUPAC name of 1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine (CID 134534166) is 1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine.
What is the SMILES notation for 1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine?
The canonical SMILES for 1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine is CC(=C(F)F)N(C)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine?
The InChIKey is KAAFBIOCTIIMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5N/c1-3(4(6)7)11(2)5(8,9)10/h1-2H3.
What are the key properties of 1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine?
1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine has a molecular weight of 175.10 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine is sourced from PubChem (CID 134534166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).