2-fluoro-N-methoxy-N,2-dimethylbutanamide

C7H14FNO2 — CID 166785115

IUPAC2-fluoro-N-methoxy-N,2-dimethylbutanamide
SMILESCCC(C)(F)C(=O)N(C)OC
InChIInChI=1S/C7H14FNO2/c1-5-7(2,8)6(10)9(3)11-4/h5H2,1-4H3
InChIKeyPKTFXBGXFHFULY-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.14
Rot. Bonds3

About 2-fluoro-N-methoxy-N,2-dimethylbutanamide

2-fluoro-N-methoxy-N,2-dimethylbutanamide (PubChem CID 166785115) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-fluoro-N-methoxy-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-fluoro-N-methoxy-N,2-dimethylbutanamide
PubChem CID166785115
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name2-fluoro-N-methoxy-N,2-dimethylbutanamide
SMILESCCC(C)(F)C(=O)N(C)OC
InChIInChI=1S/C7H14FNO2/c1-5-7(2,8)6(10)9(3)11-4/h5H2,1-4H3
InChIKeyPKTFXBGXFHFULY-UHFFFAOYSA-N
XLogP1.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-Methoxy-N-methylbutyramide
CID 13704543
N-methoxy-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57785368
N-methoxy-N,3-dimethylbutanamide
CID 10975620
(2R)-2-fluoro-N-methoxy-N-methylpropanamide
CID 10909620
N-Methoxy-N,1-dimethylcyclopropanecarboxamide
CID 45084195
4,4,4-trifluoro-N-methoxy-N-methylbutanamide
CID 22507277
2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 53416131
4,4,4-trifluoro-2,2,N-trimethyl-N-methoxy-butyramide
CID 86613113
1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 89165040
2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide
CID 90125054
Cis-2-fluoro-N-methoxy-N-methylcyclopropanecarboxamide
CID 91884935
trans-2-Fluoro-N-methoxy-N-methylcyclopropane-carboxamide
CID 117058561

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methoxy-N,2-dimethylbutanamide?
The IUPAC name of 2-fluoro-N-methoxy-N,2-dimethylbutanamide (CID 166785115) is 2-fluoro-N-methoxy-N,2-dimethylbutanamide.
What is the SMILES notation for 2-fluoro-N-methoxy-N,2-dimethylbutanamide?
The canonical SMILES for 2-fluoro-N-methoxy-N,2-dimethylbutanamide is CCC(C)(F)C(=O)N(C)OC.
What is the InChIKey of 2-fluoro-N-methoxy-N,2-dimethylbutanamide?
The InChIKey is PKTFXBGXFHFULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-5-7(2,8)6(10)9(3)11-4/h5H2,1-4H3.
What are the key properties of 2-fluoro-N-methoxy-N,2-dimethylbutanamide?
2-fluoro-N-methoxy-N,2-dimethylbutanamide has a molecular weight of 163.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methoxy-N,2-dimethylbutanamide is sourced from PubChem (CID 166785115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).