(4R)-5,5,5-trifluoro-4-hydroxypentanenitrile

C5H6F3NO — CID 10725545

IUPAC(4R)-5,5,5-trifluoro-4-hydroxypentanenitrile
SMILESN#CCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)4(10)2-1-3-9/h4,10H,1-2H2/t4-/m1/s1
InChIKeyJTWKONBHPDBCRX-SCSAIBSYSA-N
MW153.10 g/mol
LogP1.21
Rot. Bonds2

About (4R)-5,5,5-trifluoro-4-hydroxypentanenitrile

(4R)-5,5,5-trifluoro-4-hydroxypentanenitrile (PubChem CID 10725545) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is (4R)-5,5,5-trifluoro-4-hydroxypentanenitrile.

Molecular Properties

Compound Name(4R)-5,5,5-trifluoro-4-hydroxypentanenitrile
PubChem CID10725545
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name(4R)-5,5,5-trifluoro-4-hydroxypentanenitrile
SMILESN#CCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C5H6F3NO/c6-5(7,8)4(10)2-1-3-9/h4,10H,1-2H2/t4-/m1/s1
InChIKeyJTWKONBHPDBCRX-SCSAIBSYSA-N
XLogP1.21
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-5,5-dimethylhexanenitrile
CID 10654308
2-[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]acetonitrile
CID 63900671
3-[ethyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900827
3-[2-methylpropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900625
(2S)-2-hydroxypentanedinitrile
CID 98062050
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
(2S)-4-amino-1,1,1-trifluorobutan-2-ol
CID 51886728
4-amino-4-hydroxybutanenitrile
CID 88688773
(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
CID 135017833
2-amino-6,6,6-trifluorohexane-1,5-diol;hydrochloride
CID 90120224
5-hydroxy-4-methylhexanenitrile
CID 130122658
3-chloro-1,1,1-trifluoropropan-2-ol;hydrate
CID 172788592

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5,5-trifluoro-4-hydroxypentanenitrile?
The IUPAC name of (4R)-5,5,5-trifluoro-4-hydroxypentanenitrile (CID 10725545) is (4R)-5,5,5-trifluoro-4-hydroxypentanenitrile.
What is the SMILES notation for (4R)-5,5,5-trifluoro-4-hydroxypentanenitrile?
The canonical SMILES for (4R)-5,5,5-trifluoro-4-hydroxypentanenitrile is N#CCC[C@@H](O)C(F)(F)F.
What is the InChIKey of (4R)-5,5,5-trifluoro-4-hydroxypentanenitrile?
The InChIKey is JTWKONBHPDBCRX-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-5(7,8)4(10)2-1-3-9/h4,10H,1-2H2/t4-/m1/s1.
What are the key properties of (4R)-5,5,5-trifluoro-4-hydroxypentanenitrile?
(4R)-5,5,5-trifluoro-4-hydroxypentanenitrile has a molecular weight of 153.10 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5,5-trifluoro-4-hydroxypentanenitrile is sourced from PubChem (CID 10725545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).