3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile

C8H11F2NO — CID 134603210

IUPAC3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile
SMILESN#CCC(O)C1CCC(F)(F)C1
InChIInChI=1S/C8H11F2NO/c9-8(10)3-1-6(5-8)7(12)2-4-11/h6-7,12H,1-3,5H2
InChIKeyUHPFFPUMXDYHKO-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.70
Rot. Bonds2

About 3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile

3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile (PubChem CID 134603210) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile.

Molecular Properties

Compound Name3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile
PubChem CID134603210
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile
SMILESN#CCC(O)C1CCC(F)(F)C1
InChIInChI=1S/C8H11F2NO/c9-8(10)3-1-6(5-8)7(12)2-4-11/h6-7,12H,1-3,5H2
InChIKeyUHPFFPUMXDYHKO-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile?
The IUPAC name of 3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile (CID 134603210) is 3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile.
What is the SMILES notation for 3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile?
The canonical SMILES for 3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile is N#CCC(O)C1CCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile?
The InChIKey is UHPFFPUMXDYHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c9-8(10)3-1-6(5-8)7(12)2-4-11/h6-7,12H,1-3,5H2.
What are the key properties of 3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile?
3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile has a molecular weight of 175.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclopentyl)-3-hydroxypropanenitrile is sourced from PubChem (CID 134603210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).