trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide

C6H10FNO2 — CID 117058561

IUPACtrans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@H]1C[C@@H]1F
InChIInChI=1S/C6H10FNO2/c1-8(10-2)6(9)4-3-5(4)7/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyQHFDQGGIAVWDQC-WHFBIAKZSA-N
MW147.15 g/mol
LogP0.36
Rot. Bonds2

About trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide

trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 117058561) has the molecular formula C6H10FNO2 and a molecular weight of 147.15 g/mol. Its IUPAC name is trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID117058561
Molecular FormulaC6H10FNO2
Molecular Weight147.15 g/mol
Exact Mass147.07
IUPAC Nametrans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)[C@H]1C[C@@H]1F
InChIInChI=1S/C6H10FNO2/c1-8(10-2)6(9)4-3-5(4)7/h4-5H,3H2,1-2H3/t4-,5-/m0/s1
InChIKeyQHFDQGGIAVWDQC-WHFBIAKZSA-N
XLogP0.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 50.36
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-methylcyclopropanecarboxamide
CID 15643267
2-cyclopropyl-N-methoxy-N-methylacetamide
CID 22473766
N-methoxy-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57785368
N-methoxy-N,3-dimethylbutanamide
CID 10975620
rel-(1R,2R)-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 73977786
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
1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 89165040
trans-N-Methoxy-N-methyl-2-(trifluoromethyl)cyclopropanecarboxamide
CID 91658732
Cis-2-fluoro-N-methoxy-N-methylcyclopropanecarboxamide
CID 91884935
cis-2-Fluoro-N-methoxy-N-methylcyclopropane-carboxamide
CID 118993538

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 117058561) is trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)[C@H]1C[C@@H]1F.
What is the InChIKey of trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is QHFDQGGIAVWDQC-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H10FNO2/c1-8(10-2)6(9)4-3-5(4)7/h4-5H,3H2,1-2H3/t4-,5-/m0/s1.
What are the key properties of trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide?
trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide has a molecular weight of 147.15 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-fluoro-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 117058561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).