2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile

C8H11F2NO — CID 82004262

IUPAC2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(COCC(F)F)CC1
InChIInChI=1S/C8H11F2NO/c9-7(10)5-12-6-8(1-2-8)3-4-11/h7H,1-3,5-6H2
InChIKeyKQDBZUBRWUURPB-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.96
Rot. Bonds5

About 2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile

2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile (PubChem CID 82004262) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile
PubChem CID82004262
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(COCC(F)F)CC1
InChIInChI=1S/C8H11F2NO/c9-7(10)5-12-6-8(1-2-8)3-4-11/h7H,1-3,5-6H2
InChIKeyKQDBZUBRWUURPB-UHFFFAOYSA-N
XLogP1.96
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile (CID 82004262) is 2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile is N#CCC1(COCC(F)F)CC1.
What is the InChIKey of 2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile?
The InChIKey is KQDBZUBRWUURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c9-7(10)5-12-6-8(1-2-8)3-4-11/h7H,1-3,5-6H2.
What are the key properties of 2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile?
2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile has a molecular weight of 175.18 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethoxymethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 82004262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).