N-ethenyl-1,1,1-trifluoropropan-2-amine

C5H8F3N — CID 146650829

IUPACN-ethenyl-1,1,1-trifluoropropan-2-amine
SMILESC=CNC(C)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-3-9-4(2)5(6,7)8/h3-4,9H,1H2,2H3
InChIKeyPYCBVRNNGFBVDA-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.67
Rot. Bonds2

About N-ethenyl-1,1,1-trifluoropropan-2-amine

N-ethenyl-1,1,1-trifluoropropan-2-amine (PubChem CID 146650829) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is N-ethenyl-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound NameN-ethenyl-1,1,1-trifluoropropan-2-amine
PubChem CID146650829
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC NameN-ethenyl-1,1,1-trifluoropropan-2-amine
SMILESC=CNC(C)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-3-9-4(2)5(6,7)8/h3-4,9H,1H2,2H3
InChIKeyPYCBVRNNGFBVDA-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1,1,1-trifluoropropan-2-amine?
The IUPAC name of N-ethenyl-1,1,1-trifluoropropan-2-amine (CID 146650829) is N-ethenyl-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for N-ethenyl-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for N-ethenyl-1,1,1-trifluoropropan-2-amine is C=CNC(C)C(F)(F)F.
What is the InChIKey of N-ethenyl-1,1,1-trifluoropropan-2-amine?
The InChIKey is PYCBVRNNGFBVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c1-3-9-4(2)5(6,7)8/h3-4,9H,1H2,2H3.
What are the key properties of N-ethenyl-1,1,1-trifluoropropan-2-amine?
N-ethenyl-1,1,1-trifluoropropan-2-amine has a molecular weight of 139.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 146650829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).