3-(3,3,3-trifluoropropylamino)pentanenitrile

C8H13F3N2 — CID 63227298

IUPAC3-(3,3,3-trifluoropropylamino)pentanenitrile
SMILESCCC(CC#N)NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-2-7(3-5-12)13-6-4-8(9,10)11/h7,13H,2-4,6H2,1H3
InChIKeySAGYVMMTCGUPNQ-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.22
Rot. Bonds5

About 3-(3,3,3-trifluoropropylamino)pentanenitrile

3-(3,3,3-trifluoropropylamino)pentanenitrile (PubChem CID 63227298) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylamino)pentanenitrile.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylamino)pentanenitrile
PubChem CID63227298
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name3-(3,3,3-trifluoropropylamino)pentanenitrile
SMILESCCC(CC#N)NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-2-7(3-5-12)13-6-4-8(9,10)11/h7,13H,2-4,6H2,1H3
InChIKeySAGYVMMTCGUPNQ-UHFFFAOYSA-N
XLogP2.22
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylamino)pentanenitrile?
The IUPAC name of 3-(3,3,3-trifluoropropylamino)pentanenitrile (CID 63227298) is 3-(3,3,3-trifluoropropylamino)pentanenitrile.
What is the SMILES notation for 3-(3,3,3-trifluoropropylamino)pentanenitrile?
The canonical SMILES for 3-(3,3,3-trifluoropropylamino)pentanenitrile is CCC(CC#N)NCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylamino)pentanenitrile?
The InChIKey is SAGYVMMTCGUPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-2-7(3-5-12)13-6-4-8(9,10)11/h7,13H,2-4,6H2,1H3.
What are the key properties of 3-(3,3,3-trifluoropropylamino)pentanenitrile?
3-(3,3,3-trifluoropropylamino)pentanenitrile has a molecular weight of 194.20 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylamino)pentanenitrile is sourced from PubChem (CID 63227298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).