3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile

C8H12F4N2 — CID 106292039

IUPAC3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile
SMILESCCC(CC#N)NCC(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2/c1-2-6(3-4-13)14-5-8(11,12)7(9)10/h6-7,14H,2-3,5H2,1H3
InChIKeyPZHOWDSWPSPHDC-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.17
Rot. Bonds6

About 3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile

3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile (PubChem CID 106292039) has the molecular formula C8H12F4N2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile
PubChem CID106292039
Molecular FormulaC8H12F4N2
Molecular Weight212.19 g/mol
Exact Mass212.09
IUPAC Name3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile
SMILESCCC(CC#N)NCC(F)(F)C(F)F
InChIInChI=1S/C8H12F4N2/c1-2-6(3-4-13)14-5-8(11,12)7(9)10/h6-7,14H,2-3,5H2,1H3
InChIKeyPZHOWDSWPSPHDC-UHFFFAOYSA-N
XLogP2.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Tert-butylamino)-4,4,5,5,5-pentafluoropentanenitrile
CID 20825451
2-(2,2,2-Trifluoroethylamino)pentanenitrile
CID 57313657
2-(2,2,2-Trifluoroethylamino)butanenitrile
CID 60997695
3-Methyl-2-(2,2,2-trifluoroethylamino)butanenitrile
CID 61317694
[(1-Cyano-4,4,4-trifluorobutyl)amino]methyl-methyl-methylidenephosphanium
CID 91009617
3-(1,1-Difluoropropan-2-ylamino)propanenitrile
CID 102868148
3-(4,4,4-Trifluorobutan-2-ylamino)propanenitrile
CID 107168026
1,1,1,5,5,5-hexafluoro-N-propan-2-ylpentan-3-amine
CID 117902797
4,4,4-Trifluoro-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 118103351
4,4,4-Trifluoro-3-(methylamino)butanenitrile
CID 123554729
4,4,4-Trifluoro-2-(methylamino)butanenitrile
CID 123969796
3-(2-Fluoroethylamino)butanenitrile
CID 126973653

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile (CID 106292039) is 3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile is CCC(CC#N)NCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile?
The InChIKey is PZHOWDSWPSPHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4N2/c1-2-6(3-4-13)14-5-8(11,12)7(9)10/h6-7,14H,2-3,5H2,1H3.
What are the key properties of 3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile?
3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile has a molecular weight of 212.19 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile is sourced from PubChem (CID 106292039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).