3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile

C10H15F3N2O2 — CID 114170116

IUPAC3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile
SMILESN#CC(CNC1(CO)CCOCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)8(5-14)6-15-9(7-16)1-3-17-4-2-9/h8,15-16H,1-4,6-7H2
InChIKeyPQQWYRYSNJYOCP-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.82
Rot. Bonds4

About 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile

3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile (PubChem CID 114170116) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile
PubChem CID114170116
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile
SMILESN#CC(CNC1(CO)CCOCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)8(5-14)6-15-9(7-16)1-3-17-4-2-9/h8,15-16H,1-4,6-7H2
InChIKeyPQQWYRYSNJYOCP-UHFFFAOYSA-N
XLogP0.82
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile with MolForge

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Related Compounds

{4-[(2,2,2-trifluoroethyl)amino]tetrahydro-2H-pyran-4-yl}methanol
CID 61044749
[4-(2-Fluoroethylamino)oxan-4-yl]methanol
CID 103760775
[4-(3-Fluoropropylamino)oxan-4-yl]methanol
CID 103784353
1,1,1-Trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol
CID 104709035
[4-(4,4,4-Trifluorobutylamino)oxan-4-yl]methanol
CID 106297686
[4-[2-(Trifluoromethoxy)ethylamino]oxan-4-yl]methanol
CID 107470427
4-(2-Hydroxyethylamino)oxane-4-carbonitrile
CID 62585517
3-[[4-(Hydroxymethyl)oxan-4-yl]amino]-2-methylpropanenitrile
CID 106297589
2-[[4-(Hydroxymethyl)oxan-4-yl]amino]butanenitrile
CID 106297678
3-[[4-(Hydroxymethyl)oxan-4-yl]amino]pentanenitrile
CID 106298054
3-[[4-(Hydroxymethyl)oxan-4-yl]amino]butanenitrile
CID 106298223
2-[[4-(Hydroxymethyl)oxan-4-yl]amino]propanenitrile
CID 106298238

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile (CID 114170116) is 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile is N#CC(CNC1(CO)CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile?
The InChIKey is PQQWYRYSNJYOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)8(5-14)6-15-9(7-16)1-3-17-4-2-9/h8,15-16H,1-4,6-7H2.
What are the key properties of 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile has a molecular weight of 252.24 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile is sourced from PubChem (CID 114170116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).