3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile

C10H15F3N2O — CID 103367341

IUPAC3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile
SMILESN#CC(CNCC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8(5-14)6-15-7-9(16)3-1-2-4-9/h8,15-16H,1-4,6-7H2
InChIKeyOVHNQJXZYGEGMW-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.58
Rot. Bonds4

About 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile

3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile (PubChem CID 103367341) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile
PubChem CID103367341
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile
SMILESN#CC(CNCC1(O)CCCC1)C(F)(F)F
InChIInChI=1S/C10H15F3N2O/c11-10(12,13)8(5-14)6-15-7-9(16)3-1-2-4-9/h8,15-16H,1-4,6-7H2
InChIKeyOVHNQJXZYGEGMW-UHFFFAOYSA-N
XLogP1.58
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,3,3-Trifluoropropylamino)methyl]cyclopentan-1-ol
CID 65108895
1-{[(2,2,2-Trifluoroethyl)amino]methyl}cyclopentan-1-ol
CID 65108996
1-[(2,2-Difluoroethylamino)methyl]cyclopentan-1-ol
CID 65109046
1-[(2-Fluoroethylamino)methyl]cyclopentan-1-ol
CID 80694379
1-[(3-Fluoropropylamino)methyl]cyclopentan-1-ol
CID 81107322
1-[[[2-(Aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]cyclopentan-1-ol
CID 103366483
3,3,3-Trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]propanenitrile
CID 103367238
3,3,3-Trifluoro-2-[[(1-hydroxycyclohexyl)methylamino]methyl]propanenitrile
CID 103367342
3,3,3-Trifluoro-2-[[(2-hydroxy-2,4-dimethylpentyl)amino]methyl]propanenitrile
CID 103367369
3,3,3-Trifluoro-2-[[(1-hydroxycyclobutyl)methylamino]methyl]propanenitrile
CID 103367595
1-[(2,2,3,3-Tetrafluoropropylamino)methyl]cyclopentan-1-ol
CID 106292299
3,3,3-Trifluoro-2-[[(2-hydroxy-2-methylpentyl)amino]methyl]propanenitrile
CID 106293016

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile (CID 103367341) is 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile is N#CC(CNCC1(O)CCCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile?
The InChIKey is OVHNQJXZYGEGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c11-10(12,13)8(5-14)6-15-7-9(16)3-1-2-4-9/h8,15-16H,1-4,6-7H2.
What are the key properties of 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile?
3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile has a molecular weight of 236.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(1-hydroxycyclopentyl)methylamino]methyl]propanenitrile is sourced from PubChem (CID 103367341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).