3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine

C6H10F3N — CID 131598533

IUPAC3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(NC(C)C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(2)10-5(3)6(7,8)9/h4,10H,3H2,1-2H3
InChIKeyQHRDBEIAYPESTD-UHFFFAOYSA-N
MW153.15 g/mol
LogP2.06
Rot. Bonds2

About 3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine

3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine (PubChem CID 131598533) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine
PubChem CID131598533
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine
SMILESC=C(NC(C)C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(2)10-5(3)6(7,8)9/h4,10H,3H2,1-2H3
InChIKeyQHRDBEIAYPESTD-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 52.06
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-propan-2-ylprop-1-en-2-amine?
The IUPAC name of 3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine (CID 131598533) is 3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine?
The canonical SMILES for 3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine is C=C(NC(C)C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine?
The InChIKey is QHRDBEIAYPESTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-4(2)10-5(3)6(7,8)9/h4,10H,3H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine?
3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine has a molecular weight of 153.15 g/mol, XLogP of 2.06, 2 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-propan-2-ylprop-1-en-2-amine is sourced from PubChem (CID 131598533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).