2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile

C11H9F2NO — CID 69036852

IUPAC2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)cc(F)c1OCC1CC1
InChIInChI=1S/C11H9F2NO/c12-9-3-8(5-14)11(10(13)4-9)15-6-7-1-2-7/h3-4,7H,1-2,6H2
InChIKeyFEBVRBNONAYMTD-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.63
Rot. Bonds3

About 2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile

2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile (PubChem CID 69036852) has the molecular formula C11H9F2NO and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile
PubChem CID69036852
Molecular FormulaC11H9F2NO
Molecular Weight209.19 g/mol
Exact Mass209.07
IUPAC Name2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)cc(F)c1OCC1CC1
InChIInChI=1S/C11H9F2NO/c12-9-3-8(5-14)11(10(13)4-9)15-6-7-1-2-7/h3-4,7H,1-2,6H2
InChIKeyFEBVRBNONAYMTD-UHFFFAOYSA-N
XLogP2.63
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421628
2-(cyclopropylmethoxy)-1-(1,1-dideuterio-2,2-dimethylpropyl)-3,5-difluorobenzene
CID 155606915
5-(bromomethyl)-2-(cyclopropylmethoxy)-1,3-difluorobenzene
CID 79887966
2-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421632
4-(cyclopropylmethoxy)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81285641
5-bromo-2-(cyclobutylmethoxy)-3-methylbenzonitrile
CID 171919359
(Z)-2-amino-2-[4-(cyclopropylmethoxy)-3,5-difluorophenyl]ethenethiol
CID 88904674
2-cyano-N-[4-(cyclobutylmethoxy)-3,5-difluorophenyl]acetamide
CID 168521390
2,3,5-trifluorobenzonitrile
CID 2776998
2-[[4-(3,5-difluorophenyl)cyclohexyl]methoxy]-1,3-difluoro-5-propylbenzene
CID 90411177
3-bromo-2-ethoxy-5-fluorobenzonitrile
CID 100584557
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile?
The IUPAC name of 2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile (CID 69036852) is 2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile?
The canonical SMILES for 2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile is N#Cc1cc(F)cc(F)c1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile?
The InChIKey is FEBVRBNONAYMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO/c12-9-3-8(5-14)11(10(13)4-9)15-6-7-1-2-7/h3-4,7H,1-2,6H2.
What are the key properties of 2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile?
2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile has a molecular weight of 209.19 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3,5-difluorobenzonitrile is sourced from PubChem (CID 69036852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).