2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile

C7H8FNO — CID 22602665

IUPAC2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile
SMILESN#CC(C=O)C1(CF)CC1
InChIInChI=1S/C7H8FNO/c8-5-7(1-2-7)6(3-9)4-10/h4,6H,1-2,5H2
InChIKeyKYCPMANBVHJVNK-UHFFFAOYSA-N
MW141.15 g/mol
LogP1.07
Rot. Bonds3

About 2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile

2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile (PubChem CID 22602665) has the molecular formula C7H8FNO and a molecular weight of 141.15 g/mol. Its IUPAC name is 2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile.

Molecular Properties

Compound Name2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile
PubChem CID22602665
Molecular FormulaC7H8FNO
Molecular Weight141.15 g/mol
Exact Mass141.06
IUPAC Name2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile
SMILESN#CC(C=O)C1(CF)CC1
InChIInChI=1S/C7H8FNO/c8-5-7(1-2-7)6(3-9)4-10/h4,6H,1-2,5H2
InChIKeyKYCPMANBVHJVNK-UHFFFAOYSA-N
XLogP1.07
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile?
The IUPAC name of 2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile (CID 22602665) is 2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile.
What is the SMILES notation for 2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile?
The canonical SMILES for 2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile is N#CC(C=O)C1(CF)CC1.
What is the InChIKey of 2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile?
The InChIKey is KYCPMANBVHJVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c8-5-7(1-2-7)6(3-9)4-10/h4,6H,1-2,5H2.
What are the key properties of 2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile?
2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile has a molecular weight of 141.15 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(fluoromethyl)cyclopropyl]-3-oxopropanenitrile is sourced from PubChem (CID 22602665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).