2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile

C8H11F3N2O — CID 130166854

IUPAC2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile
SMILESCC(C#N)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O/c1-6(4-12)13-3-2-7(14,5-13)8(9,10)11/h6,14H,2-3,5H2,1H3
InChIKeyZCSBRDVHQPVOMN-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.90
Rot. Bonds1

About 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile

2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile (PubChem CID 130166854) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile
PubChem CID130166854
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile
SMILESCC(C#N)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O/c1-6(4-12)13-3-2-7(14,5-13)8(9,10)11/h6,14H,2-3,5H2,1H3
InChIKeyZCSBRDVHQPVOMN-UHFFFAOYSA-N
XLogP0.90
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 59504971
1-Propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 61978000
1-Cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 62976986
3-(Difluoromethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 80605832
(3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910943
(3S)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910944
3-Methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706292
3-Methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-ol
CID 117709648
1-Ethyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124199965
1-Propyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130161553
1-Tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 139475044
(3S)-1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 141676333

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile?
The IUPAC name of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile (CID 130166854) is 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile?
The canonical SMILES for 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile is CC(C#N)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile?
The InChIKey is ZCSBRDVHQPVOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-6(4-12)13-3-2-7(14,5-13)8(9,10)11/h6,14H,2-3,5H2,1H3.
What are the key properties of 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile?
2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile has a molecular weight of 208.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 130166854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).