1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile

C8H11F3N2O — CID 164653325

IUPAC1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7(14)5-13-2-1-6(3-12)4-13/h6-7,14H,1-2,4-5H2
InChIKeySEICTENDTMYIGC-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.76
Rot. Bonds2

About 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile

1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile (PubChem CID 164653325) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile
PubChem CID164653325
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile
SMILESN#CC1CCN(CC(O)C(F)(F)F)C1
InChIInChI=1S/C8H11F3N2O/c9-8(10,11)7(14)5-13-2-1-6(3-12)4-13/h6-7,14H,1-2,4-5H2
InChIKeySEICTENDTMYIGC-UHFFFAOYSA-N
XLogP0.76
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-Trifluoro-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 63900193
1,1,1-Trifluoro-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
CID 63900629
3-[Ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]-2-methylpropanenitrile
CID 63900826
2-Methyl-3-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900828
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile
CID 64414705
3,3,3-Trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanenitrile
CID 103367864
3,3,3-Trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanenitrile
CID 103367871
3,3,3-trifluoro-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]propanenitrile
CID 103372196
3,3,3-trifluoro-2-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]propanenitrile
CID 103372197
2-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 103372198
2-[(3,4-Dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 106669448
2-[[Methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]pentanedinitrile
CID 109967597

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile?
The IUPAC name of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile (CID 164653325) is 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile is N#CC1CCN(CC(O)C(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile?
The InChIKey is SEICTENDTMYIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c9-8(10,11)7(14)5-13-2-1-6(3-12)4-13/h6-7,14H,1-2,4-5H2.
What are the key properties of 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile?
1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile has a molecular weight of 208.18 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-3-carbonitrile is sourced from PubChem (CID 164653325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).