3-(2,2,2-trifluoroethylamino)pentanenitrile

C7H11F3N2 — CID 43368798

IUPAC3-(2,2,2-trifluoroethylamino)pentanenitrile
SMILESCCC(CC#N)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-2-6(3-4-11)12-5-7(8,9)10/h6,12H,2-3,5H2,1H3
InChIKeyAMHCQMUPCYJCIX-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.83
Rot. Bonds4

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

3-(2,2,2-trifluoroethylamino)pentanenitrile (PubChem CID 43368798) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)pentanenitrile.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)pentanenitrile
PubChem CID43368798
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name3-(2,2,2-trifluoroethylamino)pentanenitrile
SMILESCCC(CC#N)NCC(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-2-6(3-4-11)12-5-7(8,9)10/h6,12H,2-3,5H2,1H3
InChIKeyAMHCQMUPCYJCIX-UHFFFAOYSA-N
XLogP1.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2,3,3-tetrafluoropropylamino)pentanenitrile
CID 106292039
N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 24704116
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pentanenitrile
CID 81411049
3-(2-methoxyethylamino)pentanenitrile
CID 43367995
3-[[2-(trifluoromethyl)phenyl]methylamino]pentanenitrile
CID 62646391
3-[3-(dimethylamino)propylamino]pentanenitrile
CID 43368688
3-(heptan-3-ylamino)-2,2-dimethylpropanenitrile
CID 104720351
3-(3-cyclopentylpropylamino)pentanenitrile
CID 106010678
3-(7-methyloctylamino)pentanenitrile
CID 107815048
3-[[4-(difluoromethyl)phenyl]methylamino]pentanenitrile
CID 113328347
3-(3-methylpentan-2-ylamino)pentanenitrile
CID 61463482
4-ethylsulfanyl-2-(2,2,2-trifluoroethylamino)butanenitrile
CID 116504307

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)pentanenitrile?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)pentanenitrile (CID 43368798) is 3-(2,2,2-trifluoroethylamino)pentanenitrile.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)pentanenitrile?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)pentanenitrile is CCC(CC#N)NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)pentanenitrile?
The InChIKey is AMHCQMUPCYJCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-2-6(3-4-11)12-5-7(8,9)10/h6,12H,2-3,5H2,1H3.
What are the key properties of 3-(2,2,2-trifluoroethylamino)pentanenitrile?
3-(2,2,2-trifluoroethylamino)pentanenitrile has a molecular weight of 180.17 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)pentanenitrile is sourced from PubChem (CID 43368798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).