N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide

C13H22FNO — CID 171608649

IUPACN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
SMILESCC(C)(C)C(CC1CC1)NC(=O)C1(F)CC1
InChIInChI=1S/C13H22FNO/c1-12(2,3)10(8-9-4-5-9)15-11(16)13(14)6-7-13/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyIUKBJMKMQIPJHV-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.82
Rot. Bonds4

About N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide

N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide (PubChem CID 171608649) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
PubChem CID171608649
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC NameN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide
SMILESCC(C)(C)C(CC1CC1)NC(=O)C1(F)CC1
InChIInChI=1S/C13H22FNO/c1-12(2,3)10(8-9-4-5-9)15-11(16)13(14)6-7-13/h9-10H,4-8H2,1-3H3,(H,15,16)
InChIKeyIUKBJMKMQIPJHV-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide (CID 171608649) is N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide is CC(C)(C)C(CC1CC1)NC(=O)C1(F)CC1.
What is the InChIKey of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
The InChIKey is IUKBJMKMQIPJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c1-12(2,3)10(8-9-4-5-9)15-11(16)13(14)6-7-13/h9-10H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide?
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide has a molecular weight of 227.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 171608649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).