N-tert-butyl-3-fluorocyclobutane-1-carboxamide

C9H16FNO — CID 138648463

IUPACN-tert-butyl-3-fluorocyclobutane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(F)C1
InChIInChI=1S/C9H16FNO/c1-9(2,3)11-8(12)6-4-7(10)5-6/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeySSJGOTCFWDQYNC-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.65
Rot. Bonds1

About N-tert-butyl-3-fluorocyclobutane-1-carboxamide

N-tert-butyl-3-fluorocyclobutane-1-carboxamide (PubChem CID 138648463) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-tert-butyl-3-fluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-fluorocyclobutane-1-carboxamide
PubChem CID138648463
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-tert-butyl-3-fluorocyclobutane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1CC(F)C1
InChIInChI=1S/C9H16FNO/c1-9(2,3)11-8(12)6-4-7(10)5-6/h6-7H,4-5H2,1-3H3,(H,11,12)
InChIKeySSJGOTCFWDQYNC-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluorocyclobutane-1-carboxamide?
The IUPAC name of N-tert-butyl-3-fluorocyclobutane-1-carboxamide (CID 138648463) is N-tert-butyl-3-fluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-fluorocyclobutane-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-fluorocyclobutane-1-carboxamide is CC(C)(C)NC(=O)C1CC(F)C1.
What is the InChIKey of N-tert-butyl-3-fluorocyclobutane-1-carboxamide?
The InChIKey is SSJGOTCFWDQYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(2,3)11-8(12)6-4-7(10)5-6/h6-7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-3-fluorocyclobutane-1-carboxamide?
N-tert-butyl-3-fluorocyclobutane-1-carboxamide has a molecular weight of 173.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluorocyclobutane-1-carboxamide is sourced from PubChem (CID 138648463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).