2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide

C7H12FNOS — CID 139505179

IUPAC2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide
SMILESCSC(C)NC(=O)C1CC1F
InChIInChI=1S/C7H12FNOS/c1-4(11-2)9-7(10)5-3-6(5)8/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyKKHCQXNJHXBARL-UHFFFAOYSA-N
MW177.24 g/mol
LogP1.17
Rot. Bonds3

About 2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide

2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide (PubChem CID 139505179) has the molecular formula C7H12FNOS and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide
PubChem CID139505179
Molecular FormulaC7H12FNOS
Molecular Weight177.24 g/mol
Exact Mass177.06
IUPAC Name2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide
SMILESCSC(C)NC(=O)C1CC1F
InChIInChI=1S/C7H12FNOS/c1-4(11-2)9-7(10)5-3-6(5)8/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyKKHCQXNJHXBARL-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide (CID 139505179) is 2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide is CSC(C)NC(=O)C1CC1F.
What is the InChIKey of 2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide?
The InChIKey is KKHCQXNJHXBARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNOS/c1-4(11-2)9-7(10)5-3-6(5)8/h4-6H,3H2,1-2H3,(H,9,10).
What are the key properties of 2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide?
2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide has a molecular weight of 177.24 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methylsulfanylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139505179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).