2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile

C10H17F3N2O — CID 66277224

IUPAC2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile
SMILESCCCNC(C#N)CCOC(C)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-3-5-15-9(7-14)4-6-16-8(2)10(11,12)13/h8-9,15H,3-6H2,1-2H3
InChIKeyFAQQCVWHQXIVPB-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.24
Rot. Bonds7

About 2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile

2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile (PubChem CID 66277224) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile.

Molecular Properties

Compound Name2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile
PubChem CID66277224
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile
SMILESCCCNC(C#N)CCOC(C)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-3-5-15-9(7-14)4-6-16-8(2)10(11,12)13/h8-9,15H,3-6H2,1-2H3
InChIKeyFAQQCVWHQXIVPB-UHFFFAOYSA-N
XLogP2.24
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile?
The IUPAC name of 2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile (CID 66277224) is 2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile.
What is the SMILES notation for 2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile?
The canonical SMILES for 2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile is CCCNC(C#N)CCOC(C)C(F)(F)F.
What is the InChIKey of 2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile?
The InChIKey is FAQQCVWHQXIVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-3-5-15-9(7-14)4-6-16-8(2)10(11,12)13/h8-9,15H,3-6H2,1-2H3.
What are the key properties of 2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile?
2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile has a molecular weight of 238.25 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile is sourced from PubChem (CID 66277224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).