2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile

C6H8FNO — CID 170436185

IUPAC2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile
SMILESN#CC(F)(CO)C1CC1
InChIInChI=1S/C6H8FNO/c7-6(3-8,4-9)5-1-2-5/h5,9H,1-2,4H2
InChIKeyMARUUPABMMULDG-UHFFFAOYSA-N
MW129.13 g/mol
LogP0.62
Rot. Bonds2

About 2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile

2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile (PubChem CID 170436185) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile
PubChem CID170436185
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile
SMILESN#CC(F)(CO)C1CC1
InChIInChI=1S/C6H8FNO/c7-6(3-8,4-9)5-1-2-5/h5,9H,1-2,4H2
InChIKeyMARUUPABMMULDG-UHFFFAOYSA-N
XLogP0.62
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile?
The IUPAC name of 2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile (CID 170436185) is 2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile?
The canonical SMILES for 2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile is N#CC(F)(CO)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile?
The InChIKey is MARUUPABMMULDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c7-6(3-8,4-9)5-1-2-5/h5,9H,1-2,4H2.
What are the key properties of 2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile?
2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile has a molecular weight of 129.13 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-3-hydroxypropanenitrile is sourced from PubChem (CID 170436185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).