N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide

C8H12F3NO — CID 156815785

IUPACN-(3,3,3-trifluoropropyl)cyclobutanecarboxamide
SMILESO=C(NCCC(F)(F)F)C1CCC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-5-12-7(13)6-2-1-3-6/h6H,1-5H2,(H,12,13)
InChIKeyLSZMGIWWDSGMBG-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.86
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide

N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide (PubChem CID 156815785) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)cyclobutanecarboxamide
PubChem CID156815785
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-(3,3,3-trifluoropropyl)cyclobutanecarboxamide
SMILESO=C(NCCC(F)(F)F)C1CCC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)4-5-12-7(13)6-2-1-3-6/h6H,1-5H2,(H,12,13)
InChIKeyLSZMGIWWDSGMBG-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide (CID 156815785) is N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide is O=C(NCCC(F)(F)F)C1CCC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide?
The InChIKey is LSZMGIWWDSGMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)4-5-12-7(13)6-2-1-3-6/h6H,1-5H2,(H,12,13).
What are the key properties of N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide?
N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide has a molecular weight of 195.18 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide is sourced from PubChem (CID 156815785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).