3-cyclopropyloxy-2,5-difluorobenzonitrile

C10H7F2NO — CID 156825517

IUPAC3-cyclopropyloxy-2,5-difluorobenzonitrile
SMILESN#Cc1cc(F)cc(OC2CC2)c1F
InChIInChI=1S/C10H7F2NO/c11-7-3-6(5-13)10(12)9(4-7)14-8-1-2-8/h3-4,8H,1-2H2
InChIKeyAMPMVZUXAKSPRK-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.38
Rot. Bonds2

About 3-cyclopropyloxy-2,5-difluorobenzonitrile

3-cyclopropyloxy-2,5-difluorobenzonitrile (PubChem CID 156825517) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is 3-cyclopropyloxy-2,5-difluorobenzonitrile.

Molecular Properties

Compound Name3-cyclopropyloxy-2,5-difluorobenzonitrile
PubChem CID156825517
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name3-cyclopropyloxy-2,5-difluorobenzonitrile
SMILESN#Cc1cc(F)cc(OC2CC2)c1F
InChIInChI=1S/C10H7F2NO/c11-7-3-6(5-13)10(12)9(4-7)14-8-1-2-8/h3-4,8H,1-2H2
InChIKeyAMPMVZUXAKSPRK-UHFFFAOYSA-N
XLogP2.38
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyloxy-2,5-difluorobenzonitrile?
The IUPAC name of 3-cyclopropyloxy-2,5-difluorobenzonitrile (CID 156825517) is 3-cyclopropyloxy-2,5-difluorobenzonitrile.
What is the SMILES notation for 3-cyclopropyloxy-2,5-difluorobenzonitrile?
The canonical SMILES for 3-cyclopropyloxy-2,5-difluorobenzonitrile is N#Cc1cc(F)cc(OC2CC2)c1F.
What is the InChIKey of 3-cyclopropyloxy-2,5-difluorobenzonitrile?
The InChIKey is AMPMVZUXAKSPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO/c11-7-3-6(5-13)10(12)9(4-7)14-8-1-2-8/h3-4,8H,1-2H2.
What are the key properties of 3-cyclopropyloxy-2,5-difluorobenzonitrile?
3-cyclopropyloxy-2,5-difluorobenzonitrile has a molecular weight of 195.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyloxy-2,5-difluorobenzonitrile is sourced from PubChem (CID 156825517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).