1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide

C7H12FNO2 — CID 89165040

IUPAC1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1(CF)CC1
InChIInChI=1S/C7H12FNO2/c1-9(11-2)6(10)7(5-8)3-4-7/h3-5H2,1-2H3
InChIKeySMYOJXNXAPJLOV-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.76
Rot. Bonds3

About 1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide

1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide (PubChem CID 89165040) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
PubChem CID89165040
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
SMILESCON(C)C(=O)C1(CF)CC1
InChIInChI=1S/C7H12FNO2/c1-9(11-2)6(10)7(5-8)3-4-7/h3-5H2,1-2H3
InChIKeySMYOJXNXAPJLOV-UHFFFAOYSA-N
XLogP0.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.76
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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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide (CID 89165040) is 1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide is CON(C)C(=O)C1(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
The InChIKey is SMYOJXNXAPJLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-9(11-2)6(10)7(5-8)3-4-7/h3-5H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide?
1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide has a molecular weight of 161.18 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 89165040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).