N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide

C10H16FNO2 — CID 162747705

IUPACN-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide
SMILESCC(C)(C)C(C=O)NC(=O)C1(F)CC1
InChIInChI=1S/C10H16FNO2/c1-9(2,3)7(6-13)12-8(14)10(11)4-5-10/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyNWSONDDVKDJCIV-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.22
Rot. Bonds3

About N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide

N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide (PubChem CID 162747705) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide
PubChem CID162747705
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC NameN-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide
SMILESCC(C)(C)C(C=O)NC(=O)C1(F)CC1
InChIInChI=1S/C10H16FNO2/c1-9(2,3)7(6-13)12-8(14)10(11)4-5-10/h6-7H,4-5H2,1-3H3,(H,12,14)
InChIKeyNWSONDDVKDJCIV-UHFFFAOYSA-N
XLogP1.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide (CID 162747705) is N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide is CC(C)(C)C(C=O)NC(=O)C1(F)CC1.
What is the InChIKey of N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
The InChIKey is NWSONDDVKDJCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-9(2,3)7(6-13)12-8(14)10(11)4-5-10/h6-7H,4-5H2,1-3H3,(H,12,14).
What are the key properties of N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide has a molecular weight of 201.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-oxobutan-2-yl)-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 162747705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).