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

C14H24FNO — CID 171608667

IUPACN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide
SMILESCC(C)(C)C(CC1CC1)NC(=O)C1(F)CCC1
InChIInChI=1S/C14H24FNO/c1-13(2,3)11(9-10-5-6-10)16-12(17)14(15)7-4-8-14/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeySCINDZSWFDQLMV-UHFFFAOYSA-N
MW241.35 g/mol
LogP3.21
Rot. Bonds4

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

N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide (PubChem CID 171608667) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide
PubChem CID171608667
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC NameN-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide
SMILESCC(C)(C)C(CC1CC1)NC(=O)C1(F)CCC1
InChIInChI=1S/C14H24FNO/c1-13(2,3)11(9-10-5-6-10)16-12(17)14(15)7-4-8-14/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeySCINDZSWFDQLMV-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.21
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-fluorocyclobutane-1-carboxamide?
The IUPAC name of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide (CID 171608667) is N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide is CC(C)(C)C(CC1CC1)NC(=O)C1(F)CCC1.
What is the InChIKey of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide?
The InChIKey is SCINDZSWFDQLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO/c1-13(2,3)11(9-10-5-6-10)16-12(17)14(15)7-4-8-14/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide?
N-(1-cyclopropyl-3,3-dimethylbutan-2-yl)-1-fluorocyclobutane-1-carboxamide has a molecular weight of 241.35 g/mol, XLogP of 3.21, 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-fluorocyclobutane-1-carboxamide is sourced from PubChem (CID 171608667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).