1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide

C11H20FNO — CID 164554147

IUPAC1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)C(C)NC(=O)C1(CCF)CC1
InChIInChI=1S/C11H20FNO/c1-8(2)9(3)13-10(14)11(4-5-11)6-7-12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyLYXJWEQBPVRXRB-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.29
Rot. Bonds5

About 1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide

1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide (PubChem CID 164554147) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
PubChem CID164554147
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)C(C)NC(=O)C1(CCF)CC1
InChIInChI=1S/C11H20FNO/c1-8(2)9(3)13-10(14)11(4-5-11)6-7-12/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyLYXJWEQBPVRXRB-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide (CID 164554147) is 1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide is CC(C)C(C)NC(=O)C1(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is LYXJWEQBPVRXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-8(2)9(3)13-10(14)11(4-5-11)6-7-12/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide?
1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 201.28 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-(3-methylbutan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 164554147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).