3,3,3-trifluoro-N-methylprop-1-en-2-amine

C4H6F3N — CID 129272081

IUPAC3,3,3-trifluoro-N-methylprop-1-en-2-amine
SMILESC=C(NC)C(F)(F)F
InChIInChI=1S/C4H6F3N/c1-3(8-2)4(5,6)7/h8H,1H2,2H3
InChIKeyOAQAUNZKNOSUTC-UHFFFAOYSA-N
MW125.09 g/mol
LogP1.28
Rot. Bonds1

About 3,3,3-trifluoro-N-methylprop-1-en-2-amine

3,3,3-trifluoro-N-methylprop-1-en-2-amine (PubChem CID 129272081) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methylprop-1-en-2-amine
PubChem CID129272081
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC Name3,3,3-trifluoro-N-methylprop-1-en-2-amine
SMILESC=C(NC)C(F)(F)F
InChIInChI=1S/C4H6F3N/c1-3(8-2)4(5,6)7/h8H,1H2,2H3
InChIKeyOAQAUNZKNOSUTC-UHFFFAOYSA-N
XLogP1.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methylprop-1-en-2-amine?
The IUPAC name of 3,3,3-trifluoro-N-methylprop-1-en-2-amine (CID 129272081) is 3,3,3-trifluoro-N-methylprop-1-en-2-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methylprop-1-en-2-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methylprop-1-en-2-amine is C=C(NC)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methylprop-1-en-2-amine?
The InChIKey is OAQAUNZKNOSUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N/c1-3(8-2)4(5,6)7/h8H,1H2,2H3.
What are the key properties of 3,3,3-trifluoro-N-methylprop-1-en-2-amine?
3,3,3-trifluoro-N-methylprop-1-en-2-amine has a molecular weight of 125.09 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methylprop-1-en-2-amine is sourced from PubChem (CID 129272081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).