N-butan-2-yl-1-fluorocyclobutane-1-carboxamide

C9H16FNO — CID 130944336

IUPACN-butan-2-yl-1-fluorocyclobutane-1-carboxamide
SMILESCCC(C)NC(=O)C1(F)CCC1
InChIInChI=1S/C9H16FNO/c1-3-7(2)11-8(12)9(10)5-4-6-9/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeySXPCVLYTWWSTSQ-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.79
Rot. Bonds3

About N-butan-2-yl-1-fluorocyclobutane-1-carboxamide

N-butan-2-yl-1-fluorocyclobutane-1-carboxamide (PubChem CID 130944336) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-butan-2-yl-1-fluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-fluorocyclobutane-1-carboxamide
PubChem CID130944336
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-butan-2-yl-1-fluorocyclobutane-1-carboxamide
SMILESCCC(C)NC(=O)C1(F)CCC1
InChIInChI=1S/C9H16FNO/c1-3-7(2)11-8(12)9(10)5-4-6-9/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeySXPCVLYTWWSTSQ-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-fluorocyclobutane-1-carboxamide?
The IUPAC name of N-butan-2-yl-1-fluorocyclobutane-1-carboxamide (CID 130944336) is N-butan-2-yl-1-fluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-fluorocyclobutane-1-carboxamide?
The canonical SMILES for N-butan-2-yl-1-fluorocyclobutane-1-carboxamide is CCC(C)NC(=O)C1(F)CCC1.
What is the InChIKey of N-butan-2-yl-1-fluorocyclobutane-1-carboxamide?
The InChIKey is SXPCVLYTWWSTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-3-7(2)11-8(12)9(10)5-4-6-9/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-butan-2-yl-1-fluorocyclobutane-1-carboxamide?
N-butan-2-yl-1-fluorocyclobutane-1-carboxamide has a molecular weight of 173.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-fluorocyclobutane-1-carboxamide is sourced from PubChem (CID 130944336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).