2-(2-fluoro-2-methylpropoxy)acetonitrile

C6H10FNO — CID 84648121

IUPAC2-(2-fluoro-2-methylpropoxy)acetonitrile
SMILESCC(C)(F)COCC#N
InChIInChI=1S/C6H10FNO/c1-6(2,7)5-9-4-3-8/h4-5H2,1-2H3
InChIKeyWPMAGHWQVVLJMV-UHFFFAOYSA-N
MW131.15 g/mol
LogP1.27
Rot. Bonds3

About 2-(2-fluoro-2-methylpropoxy)acetonitrile

2-(2-fluoro-2-methylpropoxy)acetonitrile (PubChem CID 84648121) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 2-(2-fluoro-2-methylpropoxy)acetonitrile.

Molecular Properties

Compound Name2-(2-fluoro-2-methylpropoxy)acetonitrile
PubChem CID84648121
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name2-(2-fluoro-2-methylpropoxy)acetonitrile
SMILESCC(C)(F)COCC#N
InChIInChI=1S/C6H10FNO/c1-6(2,7)5-9-4-3-8/h4-5H2,1-2H3
InChIKeyWPMAGHWQVVLJMV-UHFFFAOYSA-N
XLogP1.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,1-trifluoropropan-2-yloxy)acetonitrile
CID 66276756
2-(2,2-difluoroethoxy)acetonitrile
CID 82006298
ethane;2-fluoro-1-methoxy-2-methylpropane
CID 176980153
3,3-difluorobutanenitrile
CID 83855155
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
2-(3-methylbutoxy)acetonitrile
CID 24695649
2-fluoro-2-methylpropanenitrile
CID 10129896
2-(2-butoxyethoxy)acetonitrile
CID 29001467
4-(cyanomethoxy)butanenitrile
CID 142730412
2-(2-prop-2-ynoxyethoxy)acetonitrile
CID 131979201
4-methoxy-4-methylpentanenitrile
CID 89129728
3-(2,2,2-trifluoroethoxy)butanenitrile
CID 114995231

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-methylpropoxy)acetonitrile?
The IUPAC name of 2-(2-fluoro-2-methylpropoxy)acetonitrile (CID 84648121) is 2-(2-fluoro-2-methylpropoxy)acetonitrile.
What is the SMILES notation for 2-(2-fluoro-2-methylpropoxy)acetonitrile?
The canonical SMILES for 2-(2-fluoro-2-methylpropoxy)acetonitrile is CC(C)(F)COCC#N.
What is the InChIKey of 2-(2-fluoro-2-methylpropoxy)acetonitrile?
The InChIKey is WPMAGHWQVVLJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-6(2,7)5-9-4-3-8/h4-5H2,1-2H3.
What are the key properties of 2-(2-fluoro-2-methylpropoxy)acetonitrile?
2-(2-fluoro-2-methylpropoxy)acetonitrile has a molecular weight of 131.15 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-methylpropoxy)acetonitrile is sourced from PubChem (CID 84648121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).