3,3,3-trifluoro-N-methylpropan-1-amine

C4H8F3N — CID 43090333

IUPAC3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNCCC(F)(F)F
InChIInChI=1S/C4H8F3N/c1-8-3-2-4(5,6)7/h8H,2-3H2,1H3
InChIKeyONBBNBDNLGQXIX-UHFFFAOYSA-N
MW127.11 g/mol
LogP1.16
Rot. Bonds2

About 3,3,3-trifluoro-N-methylpropan-1-amine

3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 43090333) has the molecular formula C4H8F3N and a molecular weight of 127.11 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID43090333
Molecular FormulaC4H8F3N
Molecular Weight127.11 g/mol
Exact Mass127.06
IUPAC Name3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNCCC(F)(F)F
InChIInChI=1S/C4H8F3N/c1-8-3-2-4(5,6)7/h8H,2-3H2,1H3
InChIKeyONBBNBDNLGQXIX-UHFFFAOYSA-N
XLogP1.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.11
LogP ≤ 51.16
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-methylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methylpropan-1-amine (CID 43090333) is 3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methylpropan-1-amine is CNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is ONBBNBDNLGQXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3N/c1-8-3-2-4(5,6)7/h8H,2-3H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methylpropan-1-amine?
3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 127.11 g/mol, XLogP of 1.16, 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-methylpropan-1-amine is sourced from PubChem (CID 43090333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).